3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide

C14H19ClN2O — CID 55146162

IUPAC3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C14H19ClN2O/c1-9-12(15)6-3-7-13(9)17-14(18)10-4-2-5-11(16)8-10/h3,6-7,10-11H,2,4-5,8,16H2,1H3,(H,17,18)
InChIKeyJFPZLDZDSMWAQG-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.10
Rot. Bonds2

About 3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide

3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 55146162) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide
PubChem CID55146162
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)C1CCCC(N)C1
InChIInChI=1S/C14H19ClN2O/c1-9-12(15)6-3-7-13(9)17-14(18)10-4-2-5-11(16)8-10/h3,6-7,10-11H,2,4-5,8,16H2,1H3,(H,17,18)
InChIKeyJFPZLDZDSMWAQG-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

N-(3-chloro-2-methylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 46485912
3-amino-N-(2-chloro-5-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119705338
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide
CID 63042139
3-amino-N-[2-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 63044143
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride
CID 119671192
N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide
CID 119707616
3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119870064
3-amino-N-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119740865
3-amino-N-[2-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119704020
3-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclohexane-1-carboxamide
CID 119782681
N-(2-acetamido-5-methylphenyl)-3-aminocyclohexane-1-carboxamide
CID 119707704
3-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide (CID 55146162) is 3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide is Cc1c(Cl)cccc1NC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide?
The InChIKey is JFPZLDZDSMWAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-12(15)6-3-7-13(9)17-14(18)10-4-2-5-11(16)8-10/h3,6-7,10-11H,2,4-5,8,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide?
3-amino-N-(3-chloro-2-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 3-amino-N-(3-chloro-2-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 55146162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).