1-[4-[(3-chlorobenzoyl)amino]cyclohexyl]-N-cyclopropyltriazole-4-carboxamide

C19H22ClN5O2 — CID 42376894

IUPAC1-[4-[(3-chlorobenzoyl)amino]cyclohexyl]-N-cyclopropyltriazole-4-carboxamide
SMILESO=C(NC1CCC(n2cc(C(=O)NC3CC3)nn2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClN5O2/c20-13-3-1-2-12(10-13)18(26)21-15-6-8-16(9-7-15)25-11-17(23-24-25)19(27)22-14-4-5-14/h1-3,10-11,14-16H,4-9H2,(H,21,26)(H,22,27)
InChIKeyWRXWXWBVBQNJJX-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.74
Rot. Bonds5

About 1-[4-[(3-chlorobenzoyl)amino]cyclohexyl]-N-cyclopropyltriazole-4-carboxamide

1-[4-[(3-chlorobenzoyl)amino]cyclohexyl]-N-cyclopropyltriazole-4-carboxamide (PubChem CID 42376894) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 1-[4-[(3-chlorobenzoyl)amino]cyclohexyl]-N-cyclopropyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(3-chlorobenzoyl)amino]cyclohexyl]-N-cyclopropyltriazole-4-carboxamide
PubChem CID42376894
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name1-[4-[(3-chlorobenzoyl)amino]cyclohexyl]-N-cyclopropyltriazole-4-carboxamide
SMILESO=C(NC1CCC(n2cc(C(=O)NC3CC3)nn2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H22ClN5O2/c20-13-3-1-2-12(10-13)18(26)21-15-6-8-16(9-7-15)25-11-17(23-24-25)19(27)22-14-4-5-14/h1-3,10-11,14-16H,4-9H2,(H,21,26)(H,22,27)
InChIKeyWRXWXWBVBQNJJX-UHFFFAOYSA-N
XLogP2.74
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-[4-[(3-methylbenzoyl)amino]cyclohexyl]triazole-4-carboxamide
CID 42362299
1-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-cyclopentyltriazole-4-carboxamide
CID 26361027
N-(4-aminocyclohexyl)-3-chlorobenzamide
CID 62313478
3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide
CID 126831791
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
1-[4-[(3,5-dimethoxybenzoyl)amino]cyclohexyl]-N-propan-2-yltriazole-4-carboxamide
CID 42430842
N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119688217
3-chloro-N-[1-(dimethylsulfamoyl)piperidin-4-yl]benzamide
CID 110823144
N-(4-aminocyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63284768
3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114549458
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chlorobenzoyl)amino]cyclohexyl]-N-cyclopropyltriazole-4-carboxamide?
The IUPAC name of 1-[4-[(3-chlorobenzoyl)amino]cyclohexyl]-N-cyclopropyltriazole-4-carboxamide (CID 42376894) is 1-[4-[(3-chlorobenzoyl)amino]cyclohexyl]-N-cyclopropyltriazole-4-carboxamide.
What is the SMILES notation for 1-[4-[(3-chlorobenzoyl)amino]cyclohexyl]-N-cyclopropyltriazole-4-carboxamide?
The canonical SMILES for 1-[4-[(3-chlorobenzoyl)amino]cyclohexyl]-N-cyclopropyltriazole-4-carboxamide is O=C(NC1CCC(n2cc(C(=O)NC3CC3)nn2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 1-[4-[(3-chlorobenzoyl)amino]cyclohexyl]-N-cyclopropyltriazole-4-carboxamide?
The InChIKey is WRXWXWBVBQNJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c20-13-3-1-2-12(10-13)18(26)21-15-6-8-16(9-7-15)25-11-17(23-24-25)19(27)22-14-4-5-14/h1-3,10-11,14-16H,4-9H2,(H,21,26)(H,22,27).
What are the key properties of 1-[4-[(3-chlorobenzoyl)amino]cyclohexyl]-N-cyclopropyltriazole-4-carboxamide?
1-[4-[(3-chlorobenzoyl)amino]cyclohexyl]-N-cyclopropyltriazole-4-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chlorobenzoyl)amino]cyclohexyl]-N-cyclopropyltriazole-4-carboxamide is sourced from PubChem (CID 42376894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).