2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide

C15H21ClN2O — CID 64734584

IUPAC2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide
SMILESCC1CC(C)CC(NC(=O)c2ccc(Cl)cc2N)C1
InChIInChI=1S/C15H21ClN2O/c1-9-5-10(2)7-12(6-9)18-15(19)13-4-3-11(16)8-14(13)17/h3-4,8-10,12H,5-7,17H2,1-2H3,(H,18,19)
InChIKeyUMHSXRVSMKRCBN-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.48
Rot. Bonds2

About 2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide

2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide (PubChem CID 64734584) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide
PubChem CID64734584
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide
SMILESCC1CC(C)CC(NC(=O)c2ccc(Cl)cc2N)C1
InChIInChI=1S/C15H21ClN2O/c1-9-5-10(2)7-12(6-9)18-15(19)13-4-3-11(16)8-14(13)17/h3-4,8-10,12H,5-7,17H2,1-2H3,(H,18,19)
InChIKeyUMHSXRVSMKRCBN-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide
CID 28690168
2-amino-4-chloro-N-(2-methylcyclopropyl)benzamide
CID 62398884
2-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzamide
CID 115413365
2-amino-4-chloro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949515
2-amino-4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 63110103
2-amino-4-chloro-N-(3-ethylcyclohexyl)benzamide
CID 64743130
2-amino-4-chloro-N-(oxolan-3-yl)benzamide
CID 80717146
4-amino-3-chloro-N-(3,5-dimethylcyclohexyl)benzamide
CID 64733696
2-amino-5-hydroxy-N-(3-methylcyclobutyl)benzamide
CID 107076024
3-amino-N-(3,5-dimethylcyclohexyl)-2,6-difluorobenzamide
CID 79773246
4-bromo-N-(3,5-dimethylcyclohexyl)-2-fluorobenzamide
CID 64722332
2,4-dichloro-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzamide
CID 673817

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide (CID 64734584) is 2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide is CC1CC(C)CC(NC(=O)c2ccc(Cl)cc2N)C1.
What is the InChIKey of 2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide?
The InChIKey is UMHSXRVSMKRCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-9-5-10(2)7-12(6-9)18-15(19)13-4-3-11(16)8-14(13)17/h3-4,8-10,12H,5-7,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide?
2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide has a molecular weight of 280.80 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide is sourced from PubChem (CID 64734584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).