N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]cyclopentanecarboxamide

C21H30ClN3O2 — CID 23908761

IUPACN-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]cyclopentanecarboxamide
SMILESCC(=O)N(Cc1cc(NC(=O)C2CCCC2)ccc1Cl)C1CCCCC1N
InChIInChI=1S/C21H30ClN3O2/c1-14(26)25(20-9-5-4-8-19(20)23)13-16-12-17(10-11-18(16)22)24-21(27)15-6-2-3-7-15/h10-12,15,19-20H,2-9,13,23H2,1H3,(H,24,27)
InChIKeyFXCKQPZUBKUFJU-UHFFFAOYSA-N
MW391.94 g/mol
LogP4.09
Rot. Bonds5

About N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]cyclopentanecarboxamide

N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]cyclopentanecarboxamide (PubChem CID 23908761) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]cyclopentanecarboxamide
PubChem CID23908761
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC NameN-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]cyclopentanecarboxamide
SMILESCC(=O)N(Cc1cc(NC(=O)C2CCCC2)ccc1Cl)C1CCCCC1N
InChIInChI=1S/C21H30ClN3O2/c1-14(26)25(20-9-5-4-8-19(20)23)13-16-12-17(10-11-18(16)22)24-21(27)15-6-2-3-7-15/h10-12,15,19-20H,2-9,13,23H2,1H3,(H,24,27)
InChIKeyFXCKQPZUBKUFJU-UHFFFAOYSA-N
XLogP4.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclopropanecarboxamide
CID 23739109
N-(2-aminocyclohexyl)-N-[[2-chloro-5-(cyclopentanecarbonylamino)phenyl]methyl]-4-cyanobenzamide
CID 23879579
N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-3-chlorobenzamide
CID 23907684
2-chloro-N-[[5-(cyclobutanecarbonylamino)-2-(dimethylamino)phenyl]methyl]-N-cyclohexylbenzamide
CID 46138113
N-(4-aminocyclohexyl)-N-[[2-chloro-5-(cyclopentanecarbonylamino)phenyl]methyl]-3-fluorobenzamide
CID 23935406
N-[3-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclobutanecarboxamide
CID 23742097
N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide
CID 47408126
N-[3-[[cyclohexyl(propanoyl)amino]methyl]-4-(dimethylamino)phenyl]cyclobutanecarboxamide
CID 42816939
N-[3-[[(2-aminocyclohexyl)-(4-methoxybenzoyl)amino]methyl]-4-chlorophenyl]morpholine-4-carboxamide
CID 23856210
N-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide
CID 23790905
N-(4-chloro-3-hydroxyphenyl)cyclooctanecarboxamide
CID 65023340
N-(3-chloro-4-iodophenyl)cyclohexanecarboxamide
CID 166607238

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]cyclopentanecarboxamide (CID 23908761) is N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]cyclopentanecarboxamide is CC(=O)N(Cc1cc(NC(=O)C2CCCC2)ccc1Cl)C1CCCCC1N.
What is the InChIKey of N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]cyclopentanecarboxamide?
The InChIKey is FXCKQPZUBKUFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O2/c1-14(26)25(20-9-5-4-8-19(20)23)13-16-12-17(10-11-18(16)22)24-21(27)15-6-2-3-7-15/h10-12,15,19-20H,2-9,13,23H2,1H3,(H,24,27).
What are the key properties of N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]cyclopentanecarboxamide?
N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]cyclopentanecarboxamide has a molecular weight of 391.94 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]cyclopentanecarboxamide is sourced from PubChem (CID 23908761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).