4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide

C15H21ClN2O — CID 16787456

IUPAC4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(N)cc1Cl)C1CCCCC1
InChIInChI=1S/C15H21ClN2O/c1-2-18(12-6-4-3-5-7-12)15(19)13-9-8-11(17)10-14(13)16/h8-10,12H,2-7,17H2,1H3
InChIKeyPGRXCLCLFIFUBH-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.72
Rot. Bonds3

About 4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide

4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide (PubChem CID 16787456) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide
PubChem CID16787456
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide
SMILESCCN(C(=O)c1ccc(N)cc1Cl)C1CCCCC1
InChIInChI=1S/C15H21ClN2O/c1-2-18(12-6-4-3-5-7-12)15(19)13-9-8-11(17)10-14(13)16/h8-10,12H,2-7,17H2,1H3
InChIKeyPGRXCLCLFIFUBH-UHFFFAOYSA-N
XLogP3.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-chloro-N-cyclohexyl-N-ethylbenzamide
CID 52696658
3-chloro-N-cyclohexyl-N-ethylpyridine-4-carboxamide
CID 66464797
5-amino-N-cyclopentyl-N-ethyl-2-methoxybenzamide
CID 61094826
2-amino-5-chloro-N-cyclopentyl-N-ethylbenzamide
CID 43540646
5-amino-2,3-dichloro-N-cyclopropyl-N-ethylbenzamide
CID 107183529
4-chloro-3-[cyclopentyl(ethyl)carbamoyl]benzenesulfonyl chloride
CID 65372864
2-chloro-N-cyclopentyl-N-ethyl-5-methylsulfonylbenzamide
CID 134060819
4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride
CID 119722181
5-chloro-N-cyclohexyl-N-ethyl-2-hydrazinylbenzamide
CID 62248307
2-chloro-N-cyclohexyl-N-ethyl-5-nitrobenzamide
CID 43081835
5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide
CID 61095548
2-chloro-N-cyclohexyl-N-(2-hydroxyethyl)-4-methylbenzamide
CID 106509715

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide?
The IUPAC name of 4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide (CID 16787456) is 4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide.
What is the SMILES notation for 4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide?
The canonical SMILES for 4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide is CCN(C(=O)c1ccc(N)cc1Cl)C1CCCCC1.
What is the InChIKey of 4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide?
The InChIKey is PGRXCLCLFIFUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-2-18(12-6-4-3-5-7-12)15(19)13-9-8-11(17)10-14(13)16/h8-10,12H,2-7,17H2,1H3.
What are the key properties of 4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide?
4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide has a molecular weight of 280.80 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide is sourced from PubChem (CID 16787456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).