2-amino-N-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide

C14H19ClN2O — CID 64822911

IUPAC2-amino-N-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCCC2N)c(Cl)c1
InChIInChI=1S/C14H19ClN2O/c1-9-6-7-13(11(15)8-9)17-14(18)10-4-2-3-5-12(10)16/h6-8,10,12H,2-5,16H2,1H3,(H,17,18)
InChIKeyQAPUJDDYUKGYEP-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.10
Rot. Bonds2

About 2-amino-N-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide

2-amino-N-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 64822911) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide
PubChem CID64822911
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-amino-N-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCCC2N)c(Cl)c1
InChIInChI=1S/C14H19ClN2O/c1-9-6-7-13(11(15)8-9)17-14(18)10-4-2-3-5-12(10)16/h6-8,10,12H,2-5,16H2,1H3,(H,17,18)
InChIKeyQAPUJDDYUKGYEP-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 64817381
2-amino-N-(2,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 64816599
2-[(2-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid
CID 64823038
2-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide
CID 64817565
2-amino-N-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxamide
CID 64818120
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511
2-amino-N-(5-chloro-2-fluorophenyl)cyclohexane-1-carboxamide
CID 64822915
(2S)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 28881291
(1R,6R)-6-[(2-chloro-4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 40872987
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015508
2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide
CID 113269199
N-(2-chloro-4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119262646

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide (CID 64822911) is 2-amino-N-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2CCCCC2N)c(Cl)c1.
What is the InChIKey of 2-amino-N-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is QAPUJDDYUKGYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-6-7-13(11(15)8-9)17-14(18)10-4-2-3-5-12(10)16/h6-8,10,12H,2-5,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide?
2-amino-N-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-4-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64822911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).