1-amino-N-(3-chloro-4-cyanophenyl)cyclohexane-1-carboxamide

C14H16ClN3O — CID 43348137

IUPAC1-amino-N-(3-chloro-4-cyanophenyl)cyclohexane-1-carboxamide
SMILESN#Cc1ccc(NC(=O)C2(N)CCCCC2)cc1Cl
InChIInChI=1S/C14H16ClN3O/c15-12-8-11(5-4-10(12)9-16)18-13(19)14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,17H2,(H,18,19)
InChIKeyQQIRCGFZZGCQHS-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.81
Rot. Bonds2

About 1-amino-N-(3-chloro-4-cyanophenyl)cyclohexane-1-carboxamide

1-amino-N-(3-chloro-4-cyanophenyl)cyclohexane-1-carboxamide (PubChem CID 43348137) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-amino-N-(3-chloro-4-cyanophenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-chloro-4-cyanophenyl)cyclohexane-1-carboxamide
PubChem CID43348137
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name1-amino-N-(3-chloro-4-cyanophenyl)cyclohexane-1-carboxamide
SMILESN#Cc1ccc(NC(=O)C2(N)CCCCC2)cc1Cl
InChIInChI=1S/C14H16ClN3O/c15-12-8-11(5-4-10(12)9-16)18-13(19)14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,17H2,(H,18,19)
InChIKeyQQIRCGFZZGCQHS-UHFFFAOYSA-N
XLogP2.81
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(3-chloro-4-methylphenyl)cyclopentane-1-carboxamide
CID 60867567
N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119276950
N-(3-chloro-4-cyanophenyl)-1-phenylcyclobutane-1-carboxamide
CID 134044735
1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclohexane-1-carboxamide
CID 107574452
1-amino-N-(3,5-dichloro-4-fluorophenyl)cyclopentane-1-carboxamide
CID 107574361
methyl 4-[(1-aminocyclopentanecarbonyl)amino]-2-chlorobenzoate;hydrochloride
CID 119329511
1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119285029
1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide
CID 81179055
1-amino-N-[3-chloro-4-(dimethylamino)phenyl]cyclobutane-1-carboxamide
CID 81171852
1-amino-N-(3-chloro-4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 60852453
1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 119776900
1-(3-chloro-4-cyanophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111572940

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-chloro-4-cyanophenyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-chloro-4-cyanophenyl)cyclohexane-1-carboxamide (CID 43348137) is 1-amino-N-(3-chloro-4-cyanophenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-chloro-4-cyanophenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-chloro-4-cyanophenyl)cyclohexane-1-carboxamide is N#Cc1ccc(NC(=O)C2(N)CCCCC2)cc1Cl.
What is the InChIKey of 1-amino-N-(3-chloro-4-cyanophenyl)cyclohexane-1-carboxamide?
The InChIKey is QQIRCGFZZGCQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-12-8-11(5-4-10(12)9-16)18-13(19)14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,17H2,(H,18,19).
What are the key properties of 1-amino-N-(3-chloro-4-cyanophenyl)cyclohexane-1-carboxamide?
1-amino-N-(3-chloro-4-cyanophenyl)cyclohexane-1-carboxamide has a molecular weight of 277.75 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-chloro-4-cyanophenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 43348137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).