N-[5-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-hydroxyphenyl]formamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-methylindole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylbenzotriazole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide

C116H135Cl5F3N19O7 — CID 159540138

IUPACN-[5-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-hydroxyphenyl]formamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-methylindole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylbenzotriazole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
SMILESCC(C)n1c(C(F)(F)F)nc2cc(C(=O)NC3CCC(CN)(c4cccc(Cl)c4)CC3)ccc21.CC(C)n1ncc2cc(C(=O)NC3CCC(CN)(c4cccc(Cl)c4)CC3)cnc21.CC(C)n1nnc2cc(C(=O)NC3CCC(CN)(c4cccc(Cl)c4)CC3)ccc21.Cn1ccc2cc(C(=O)NC3CCC(CN)(c4cccc(Cl)c4)CC3)ccc21.NCC1(c2cccc(Cl)c2)CCC(CC(=O)c2ccc(O)c(NC=O)c2)CC1
InChIInChI=1S/C25H28ClF3N4O.2C23H28ClN5O.C23H26ClN3O.C22H25ClN2O3/c1-15(2)33-21-7-6-16(12-20(21)32-23(33)25(27,28)29)22(34)31-19-8-10-24(14-30,11-9-19)17-4-3-5-18(26)13-17;1-15(2)29-21-16(13-27-29)10-17(12-26-21)22(30)28-20-6-8-23(14-25,9-7-20)18-4-3-5-19(24)11-18;1-15(2)29-21-7-6-16(12-20(21)27-28-29)22(30)26-19-8-10-23(14-25,11-9-19)17-4-3-5-18(24)13-17;1-27-12-9-16-13-17(5-6-21(16)27)22(28)26-20-7-10-23(15-25,11-8-20)18-3-2-4-19(24)14-18;23-18-3-1-2-17(12-18)22(13-24)8-6-15(7-9-22)10-21(28)16-4-5-20(27)19(11-16)25-14-26/h3-7,12-13,15,19H,8-11,14,30H2,1-2H3,(H,31,34);3-5,10-13,15,20H,6-9,14,25H2,1-2H3,(H,28,30);3-7,12-13,15,19H,8-11,14,25H2,1-2H3,(H,26,30);2-6,9,12-14,20H,7-8,10-11,15,25H2,1H3,(H,26,28);1-5,11-12,14-15,27H,6-10,13,24H2,(H,25,26)
InChIKeyMECBYJDKCWPVSX-UHFFFAOYSA-N
MW2141.74 g/mol
LogP23.00
Rot. Bonds26

About N-[5-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-hydroxyphenyl]formamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-methylindole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylbenzotriazole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide

N-[5-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-hydroxyphenyl]formamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-methylindole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylbenzotriazole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide (PubChem CID 159540138) has the molecular formula C116H135Cl5F3N19O7 and a molecular weight of 2141.74 g/mol. Its IUPAC name is N-[5-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-hydroxyphenyl]formamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-methylindole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylbenzotriazole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-hydroxyphenyl]formamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-methylindole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylbenzotriazole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
PubChem CID159540138
Molecular FormulaC116H135Cl5F3N19O7
Molecular Weight2141.74 g/mol
Exact Mass2137.92
IUPAC NameN-[5-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-hydroxyphenyl]formamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-methylindole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylbenzotriazole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
SMILESCC(C)n1c(C(F)(F)F)nc2cc(C(=O)NC3CCC(CN)(c4cccc(Cl)c4)CC3)ccc21.CC(C)n1ncc2cc(C(=O)NC3CCC(CN)(c4cccc(Cl)c4)CC3)cnc21.CC(C)n1nnc2cc(C(=O)NC3CCC(CN)(c4cccc(Cl)c4)CC3)ccc21.Cn1ccc2cc(C(=O)NC3CCC(CN)(c4cccc(Cl)c4)CC3)ccc21.NCC1(c2cccc(Cl)c2)CCC(CC(=O)c2ccc(O)c(NC=O)c2)CC1
InChIInChI=1S/C25H28ClF3N4O.2C23H28ClN5O.C23H26ClN3O.C22H25ClN2O3/c1-15(2)33-21-7-6-16(12-20(21)32-23(33)25(27,28)29)22(34)31-19-8-10-24(14-30,11-9-19)17-4-3-5-18(26)13-17;1-15(2)29-21-16(13-27-29)10-17(12-26-21)22(30)28-20-6-8-23(14-25,9-7-20)18-4-3-5-19(24)11-18;1-15(2)29-21-7-6-16(12-20(21)27-28-29)22(30)26-19-8-10-23(14-25,11-9-19)17-4-3-5-18(24)13-17;1-27-12-9-16-13-17(5-6-21(16)27)22(28)26-20-7-10-23(15-25,11-8-20)18-3-2-4-19(24)14-18;23-18-3-1-2-17(12-18)22(13-24)8-6-15(7-9-22)10-21(28)16-4-5-20(27)19(11-16)25-14-26/h3-7,12-13,15,19H,8-11,14,30H2,1-2H3,(H,31,34);3-5,10-13,15,20H,6-9,14,25H2,1-2H3,(H,28,30);3-7,12-13,15,19H,8-11,14,25H2,1-2H3,(H,26,30);2-6,9,12-14,20H,7-8,10-11,15,25H2,1H3,(H,26,28);1-5,11-12,14-15,27H,6-10,13,24H2,(H,25,26)
InChIKeyMECBYJDKCWPVSX-UHFFFAOYSA-N
XLogP23.00
TPSA397.07 Ų
H-Bond Donors11
H-Bond Acceptors21
Rotatable Bonds26
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002141.74
LogP ≤ 523.00
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-[5-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-hydroxyphenyl]formamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-methylindole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylbenzotriazole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-acetyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indol-5-yl]-3-aminobenzamide;5-amino-1-[2-[[2-[[(1S)-1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;5-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]pyrazolo[5,4-b]pyridine-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-[(2-cyclopropylacetyl)amino]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-hydroxyindazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]-5-(piperidine-1-carbonyl)indazole-3-carboxamide
CID 161402512

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-hydroxyphenyl]formamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-methylindole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylbenzotriazole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-[5-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-hydroxyphenyl]formamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-methylindole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylbenzotriazole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide (CID 159540138) is N-[5-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-hydroxyphenyl]formamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-methylindole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylbenzotriazole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-[5-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-hydroxyphenyl]formamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-methylindole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylbenzotriazole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-[5-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-hydroxyphenyl]formamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-methylindole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylbenzotriazole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide is CC(C)n1c(C(F)(F)F)nc2cc(C(=O)NC3CCC(CN)(c4cccc(Cl)c4)CC3)ccc21.CC(C)n1ncc2cc(C(=O)NC3CCC(CN)(c4cccc(Cl)c4)CC3)cnc21.CC(C)n1nnc2cc(C(=O)NC3CCC(CN)(c4cccc(Cl)c4)CC3)ccc21.Cn1ccc2cc(C(=O)NC3CCC(CN)(c4cccc(Cl)c4)CC3)ccc21.NCC1(c2cccc(Cl)c2)CCC(CC(=O)c2ccc(O)c(NC=O)c2)CC1.
What is the InChIKey of N-[5-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-hydroxyphenyl]formamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-methylindole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylbenzotriazole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The InChIKey is MECBYJDKCWPVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClF3N4O.2C23H28ClN5O.C23H26ClN3O.C22H25ClN2O3/c1-15(2)33-21-7-6-16(12-20(21)32-23(33)25(27,28)29)22(34)31-19-8-10-24(14-30,11-9-19)17-4-3-5-18(26)13-17;1-15(2)29-21-16(13-27-29)10-17(12-26-21)22(30)28-20-6-8-23(14-25,9-7-20)18-4-3-5-19(24)11-18;1-15(2)29-21-7-6-16(12-20(21)27-28-29)22(30)26-19-8-10-23(14-25,11-9-19)17-4-3-5-18(24)13-17;1-27-12-9-16-13-17(5-6-21(16)27)22(28)26-20-7-10-23(15-25,11-8-20)18-3-2-4-19(24)14-18;23-18-3-1-2-17(12-18)22(13-24)8-6-15(7-9-22)10-21(28)16-4-5-20(27)19(11-16)25-14-26/h3-7,12-13,15,19H,8-11,14,30H2,1-2H3,(H,31,34);3-5,10-13,15,20H,6-9,14,25H2,1-2H3,(H,28,30);3-7,12-13,15,19H,8-11,14,25H2,1-2H3,(H,26,30);2-6,9,12-14,20H,7-8,10-11,15,25H2,1H3,(H,26,28);1-5,11-12,14-15,27H,6-10,13,24H2,(H,25,26).
What are the key properties of N-[5-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-hydroxyphenyl]formamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-methylindole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylbenzotriazole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
N-[5-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-hydroxyphenyl]formamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-methylindole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylbenzotriazole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide has a molecular weight of 2141.74 g/mol, XLogP of 23.00, 26 rotatable bonds, 11 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]acetyl]-2-hydroxyphenyl]formamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-methylindole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylbenzotriazole-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 159540138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).