4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide

C15H21ClN2O — CID 54868902

IUPAC4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)C1CCC(N)CC1
InChIInChI=1S/C15H21ClN2O/c1-18(10-11-3-2-4-13(16)9-11)15(19)12-5-7-14(17)8-6-12/h2-4,9,12,14H,5-8,10,17H2,1H3
InChIKeyPJLYVYSUMRXCMV-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.82
Rot. Bonds3

About 4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide

4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 54868902) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
PubChem CID54868902
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)C1CCC(N)CC1
InChIInChI=1S/C15H21ClN2O/c1-18(10-11-3-2-4-13(16)9-11)15(19)12-5-7-14(17)8-6-12/h2-4,9,12,14H,5-8,10,17H2,1H3
InChIKeyPJLYVYSUMRXCMV-UHFFFAOYSA-N
XLogP2.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;(1S,3R,4R)-3-amino-N-[(3-chlorophenyl)methyl]-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 155971944
(2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120617586
N-[(3-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78982133
4-amino-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60847411
4-(aminomethyl)-N-[(3,5-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79511292
4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 61417130
1-butylsulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 55767227
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
(2R)-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93367542
4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 54928756
3-amino-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 115161620
4-[(3-chlorophenyl)methyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672699

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide (CID 54868902) is 4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide is CN(Cc1cccc(Cl)c1)C(=O)C1CCC(N)CC1.
What is the InChIKey of 4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is PJLYVYSUMRXCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-18(10-11-3-2-4-13(16)9-11)15(19)12-5-7-14(17)8-6-12/h2-4,9,12,14H,5-8,10,17H2,1H3.
What are the key properties of 4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide?
4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 54868902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).