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

C15H21ClN2O — CID 64733696

IUPAC4-amino-3-chloro-N-(3,5-dimethylcyclohexyl)benzamide
SMILESCC1CC(C)CC(NC(=O)c2ccc(N)c(Cl)c2)C1
InChIInChI=1S/C15H21ClN2O/c1-9-5-10(2)7-12(6-9)18-15(19)11-3-4-14(17)13(16)8-11/h3-4,8-10,12H,5-7,17H2,1-2H3,(H,18,19)
InChIKeyMXRGDJNINVABFJ-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.48
Rot. Bonds2

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

4-amino-3-chloro-N-(3,5-dimethylcyclohexyl)benzamide (PubChem CID 64733696) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(3,5-dimethylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(3,5-dimethylcyclohexyl)benzamide
PubChem CID64733696
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name4-amino-3-chloro-N-(3,5-dimethylcyclohexyl)benzamide
SMILESCC1CC(C)CC(NC(=O)c2ccc(N)c(Cl)c2)C1
InChIInChI=1S/C15H21ClN2O/c1-9-5-10(2)7-12(6-9)18-15(19)11-3-4-14(17)13(16)8-11/h3-4,8-10,12H,5-7,17H2,1-2H3,(H,18,19)
InChIKeyMXRGDJNINVABFJ-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

3-bromo-4-chloro-N-(3-methylcyclobutyl)benzamide
CID 103842108
3-amino-N-(3,5-dimethylcyclohexyl)benzamide
CID 64733610
2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide
CID 64734584
4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide
CID 83034731
4-[(4-amino-3-chlorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216940
3-[(3-methylcyclobutyl)carbamoyl]benzoic acid
CID 115910449
2-amino-5-hydroxy-N-(3-methylcyclobutyl)benzamide
CID 107076024
3-amino-N-(3,5-dimethylcyclohexyl)-2,6-difluorobenzamide
CID 79773246
N-(3,5-dimethylcyclohexyl)-3-(N'-hydroxycarbamimidoyl)benzamide
CID 77054227
4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388850
3-amino-4-chloro-N-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103965109
3-bromo-4-chloro-N-(3-methylcyclopentyl)benzamide
CID 107989487

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(3,5-dimethylcyclohexyl)benzamide?
The IUPAC name of 4-amino-3-chloro-N-(3,5-dimethylcyclohexyl)benzamide (CID 64733696) is 4-amino-3-chloro-N-(3,5-dimethylcyclohexyl)benzamide.
What is the SMILES notation for 4-amino-3-chloro-N-(3,5-dimethylcyclohexyl)benzamide?
The canonical SMILES for 4-amino-3-chloro-N-(3,5-dimethylcyclohexyl)benzamide is CC1CC(C)CC(NC(=O)c2ccc(N)c(Cl)c2)C1.
What is the InChIKey of 4-amino-3-chloro-N-(3,5-dimethylcyclohexyl)benzamide?
The InChIKey is MXRGDJNINVABFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-9-5-10(2)7-12(6-9)18-15(19)11-3-4-14(17)13(16)8-11/h3-4,8-10,12H,5-7,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-3-chloro-N-(3,5-dimethylcyclohexyl)benzamide?
4-amino-3-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 4-amino-3-chloro-N-(3,5-dimethylcyclohexyl)benzamide is sourced from PubChem (CID 64733696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).