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

C15H21ClN2O — CID 112575980

IUPAC3-amino-2-chloro-N-(3-ethylcyclohexyl)benzamide
SMILESCCC1CCCC(NC(=O)c2cccc(N)c2Cl)C1
InChIInChI=1S/C15H21ClN2O/c1-2-10-5-3-6-11(9-10)18-15(19)12-7-4-8-13(17)14(12)16/h4,7-8,10-11H,2-3,5-6,9,17H2,1H3,(H,18,19)
InChIKeyDTDAFMZFFGZUBH-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.62
Rot. Bonds3

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

3-amino-2-chloro-N-(3-ethylcyclohexyl)benzamide (PubChem CID 112575980) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(3-ethylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(3-ethylcyclohexyl)benzamide
PubChem CID112575980
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name3-amino-2-chloro-N-(3-ethylcyclohexyl)benzamide
SMILESCCC1CCCC(NC(=O)c2cccc(N)c2Cl)C1
InChIInChI=1S/C15H21ClN2O/c1-2-10-5-3-6-11(9-10)18-15(19)12-7-4-8-13(17)14(12)16/h4,7-8,10-11H,2-3,5-6,9,17H2,1H3,(H,18,19)
InChIKeyDTDAFMZFFGZUBH-UHFFFAOYSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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-N-(3-ethylcyclohexyl)benzamide
CID 64743131
2-amino-4-chloro-N-(3-ethylcyclohexyl)benzamide
CID 64743130
N-(3-ethylcyclohexyl)-2-hydrazinylbenzamide
CID 64750344
2-amino-N-(3-ethylcyclohexyl)-5-methoxybenzamide
CID 64749007
4-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride
CID 119793328
5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide
CID 64748209
2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide
CID 119945966
3-amino-2-chloro-N-(1,1-dioxothian-4-yl)benzamide
CID 112575046
N-(3-ethylcyclohexyl)-2,5-dihydroxybenzamide
CID 107723198
2-amino-N-(3-ethylsulfanylcyclohexyl)benzamide;hydrochloride
CID 119945965
3-(aminomethyl)-N-(3-ethylcyclohexyl)benzamide
CID 64748016
3-amino-N-cyclobutyl-2-methylbenzamide
CID 62416681

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(3-ethylcyclohexyl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(3-ethylcyclohexyl)benzamide (CID 112575980) is 3-amino-2-chloro-N-(3-ethylcyclohexyl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(3-ethylcyclohexyl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(3-ethylcyclohexyl)benzamide is CCC1CCCC(NC(=O)c2cccc(N)c2Cl)C1.
What is the InChIKey of 3-amino-2-chloro-N-(3-ethylcyclohexyl)benzamide?
The InChIKey is DTDAFMZFFGZUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-2-10-5-3-6-11(9-10)18-15(19)12-7-4-8-13(17)14(12)16/h4,7-8,10-11H,2-3,5-6,9,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-2-chloro-N-(3-ethylcyclohexyl)benzamide?
3-amino-2-chloro-N-(3-ethylcyclohexyl)benzamide has a molecular weight of 280.80 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-N-(3-ethylcyclohexyl)benzamide is sourced from PubChem (CID 112575980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).