2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide

C15H21ClN2O — CID 115540134

IUPAC2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)NCCC1CCCCC1
InChIInChI=1S/C15H21ClN2O/c16-13-8-4-7-12(14(13)17)15(19)18-10-9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10,17H2,(H,18,19)
InChIKeyLYHXSBNDJAZSDC-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.62
Rot. Bonds4

About 2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide

2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide (PubChem CID 115540134) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide
PubChem CID115540134
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)NCCC1CCCCC1
InChIInChI=1S/C15H21ClN2O/c16-13-8-4-7-12(14(13)17)15(19)18-10-9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10,17H2,(H,18,19)
InChIKeyLYHXSBNDJAZSDC-UHFFFAOYSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.62
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-3-chloro-N-(cyclopentylmethyl)benzamide
CID 115540050
2-amino-3-chloro-N-(cyclobutylmethyl)benzamide
CID 115540048
2-amino-3-chloro-N-propylbenzamide
CID 80503191
5-bromo-2-chloro-N-(2-cycloheptylethyl)benzamide
CID 100537060
cyclohexylmethyl 2-amino-3-chlorobenzoate
CID 113333488
N-(2-cyclohexylethyl)-3-fluoro-2-(methylamino)benzamide
CID 62662231
2,3-dichloro-N-(cyclohexylmethyl)benzamide
CID 23019884
2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 115540784
2-amino-3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137909
3-amino-2-chloro-N-[2-(4-methylcyclohexyl)ethyl]benzamide
CID 115930557
2-(2-cyclobutylethylcarbamoyl)benzoic acid
CID 113478591
2-amino-3-chloro-N-(2-cyclobutylethyl)-5-nitrobenzamide
CID 107200833

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide (CID 115540134) is 2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide is Nc1c(Cl)cccc1C(=O)NCCC1CCCCC1.
What is the InChIKey of 2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide?
The InChIKey is LYHXSBNDJAZSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c16-13-8-4-7-12(14(13)17)15(19)18-10-9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10,17H2,(H,18,19).
What are the key properties of 2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide?
2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide has a molecular weight of 280.80 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-(2-cyclohexylethyl)benzamide is sourced from PubChem (CID 115540134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).