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

C15H21ClN2O — CID 115540906

IUPAC2-amino-3-chloro-N-(3,3-dimethylcyclohexyl)benzamide
SMILESCC1(C)CCCC(NC(=O)c2cccc(Cl)c2N)C1
InChIInChI=1S/C15H21ClN2O/c1-15(2)8-4-5-10(9-15)18-14(19)11-6-3-7-12(16)13(11)17/h3,6-7,10H,4-5,8-9,17H2,1-2H3,(H,18,19)
InChIKeyFBMSRJUPDCVUDG-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.62
Rot. Bonds2

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

2-amino-3-chloro-N-(3,3-dimethylcyclohexyl)benzamide (PubChem CID 115540906) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(3,3-dimethylcyclohexyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(3,3-dimethylcyclohexyl)benzamide
PubChem CID115540906
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-amino-3-chloro-N-(3,3-dimethylcyclohexyl)benzamide
SMILESCC1(C)CCCC(NC(=O)c2cccc(Cl)c2N)C1
InChIInChI=1S/C15H21ClN2O/c1-15(2)8-4-5-10(9-15)18-14(19)11-6-3-7-12(16)13(11)17/h3,6-7,10H,4-5,8-9,17H2,1-2H3,(H,18,19)
InChIKeyFBMSRJUPDCVUDG-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
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-(3,3,5,5-tetramethylcyclohexyl)benzamide
CID 103965097
2-amino-3-chloro-N-(3-methylcyclopentyl)benzamide
CID 114542613
N-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide
CID 164630158
N-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558842
3-amino-2-[(3,3-dimethylcyclohexyl)amino]benzoic acid
CID 112579341
2-amino-N-(1-tert-butylpiperidin-4-yl)-3-chlorobenzamide
CID 115540148
2-amino-3-chloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 115540437
N-(3,3-dimethylcyclohexyl)-5-fluoro-2-hydroxybenzamide
CID 115299187
5-chloro-N-(3,3-dimethylcyclohexyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114924211
2-chloro-N-cyclopentylbenzamide
CID 669043
5-bromo-N-(3,3-dimethylcyclohexyl)-2-hydroxybenzamide
CID 107729810
2-amino-N-cyclobutyl-3-methylbenzamide
CID 62416482

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(3,3-dimethylcyclohexyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(3,3-dimethylcyclohexyl)benzamide (CID 115540906) is 2-amino-3-chloro-N-(3,3-dimethylcyclohexyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(3,3-dimethylcyclohexyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(3,3-dimethylcyclohexyl)benzamide is CC1(C)CCCC(NC(=O)c2cccc(Cl)c2N)C1.
What is the InChIKey of 2-amino-3-chloro-N-(3,3-dimethylcyclohexyl)benzamide?
The InChIKey is FBMSRJUPDCVUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-15(2)8-4-5-10(9-15)18-14(19)11-6-3-7-12(16)13(11)17/h3,6-7,10H,4-5,8-9,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-3-chloro-N-(3,3-dimethylcyclohexyl)benzamide?
2-amino-3-chloro-N-(3,3-dimethylcyclohexyl)benzamide has a molecular weight of 280.80 g/mol, XLogP of 3.62, 2 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-(3,3-dimethylcyclohexyl)benzamide is sourced from PubChem (CID 115540906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).