N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-3-chlorobenzamide

C24H27Cl2N3O2 — CID 23907684

IUPACN-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-3-chlorobenzamide
SMILESNC1CCCCC1N(Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1Cl)C(=O)C1CC1
InChIInChI=1S/C24H27Cl2N3O2/c25-18-5-3-4-16(12-18)23(30)28-19-10-11-20(26)17(13-19)14-29(24(31)15-8-9-15)22-7-2-1-6-21(22)27/h3-5,10-13,15,21-22H,1-2,6-9,14,27H2,(H,28,30)
InChIKeyUXCUROOLRATPRX-UHFFFAOYSA-N
MW460.41 g/mol
LogP5.25
Rot. Bonds6

About N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-3-chlorobenzamide

N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-3-chlorobenzamide (PubChem CID 23907684) has the molecular formula C24H27Cl2N3O2 and a molecular weight of 460.41 g/mol. Its IUPAC name is N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-3-chlorobenzamide
PubChem CID23907684
Molecular FormulaC24H27Cl2N3O2
Molecular Weight460.41 g/mol
Exact Mass459.15
IUPAC NameN-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-3-chlorobenzamide
SMILESNC1CCCCC1N(Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1Cl)C(=O)C1CC1
InChIInChI=1S/C24H27Cl2N3O2/c25-18-5-3-4-16(12-18)23(30)28-19-10-11-20(26)17(13-19)14-29(24(31)15-8-9-15)22-7-2-1-6-21(22)27/h3-5,10-13,15,21-22H,1-2,6-9,14,27H2,(H,28,30)
InChIKeyUXCUROOLRATPRX-UHFFFAOYSA-N
XLogP5.25
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.41
LogP ≤ 55.25
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-[[3-[(3-chlorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide
CID 23855461
N-[3-[[acetyl-(2-aminocyclohexyl)amino]methyl]-4-chlorophenyl]cyclopentanecarboxamide
CID 23908761
N-(2-aminocyclohexyl)-N-[[2-chloro-5-(cyclopentanecarbonylamino)phenyl]methyl]-4-cyanobenzamide
CID 23879579
N-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide
CID 23790905
N-[3-[[3-aminopropyl(cyclopropanecarbonyl)amino]methyl]phenyl]-3-chlorobenzamide
CID 23855130
N-(4-aminocyclohexyl)-N-[[2-chloro-5-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide
CID 23849496
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
N-(4-aminocyclohexyl)-N-[[2-chloro-5-(cyclopentanecarbonylamino)phenyl]methyl]-3-fluorobenzamide
CID 23935406
N-(2-aminocyclohexyl)-N-[(4-benzamidophenyl)methyl]-3-fluorobenzamide
CID 23904820
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 23884328

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-3-chlorobenzamide?
The IUPAC name of N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-3-chlorobenzamide (CID 23907684) is N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-3-chlorobenzamide.
What is the SMILES notation for N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-3-chlorobenzamide?
The canonical SMILES for N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-3-chlorobenzamide is NC1CCCCC1N(Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1Cl)C(=O)C1CC1.
What is the InChIKey of N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-3-chlorobenzamide?
The InChIKey is UXCUROOLRATPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N3O2/c25-18-5-3-4-16(12-18)23(30)28-19-10-11-20(26)17(13-19)14-29(24(31)15-8-9-15)22-7-2-1-6-21(22)27/h3-5,10-13,15,21-22H,1-2,6-9,14,27H2,(H,28,30).
What are the key properties of N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-3-chlorobenzamide?
N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-3-chlorobenzamide has a molecular weight of 460.41 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]-3-chlorobenzamide is sourced from PubChem (CID 23907684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).