5-chloro-N-(2,3-dimethylcyclohexyl)-2-(ethylamino)benzamide

C17H25ClN2O — CID 63500408

IUPAC5-chloro-N-(2,3-dimethylcyclohexyl)-2-(ethylamino)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NC1CCCC(C)C1C
InChIInChI=1S/C17H25ClN2O/c1-4-19-16-9-8-13(18)10-14(16)17(21)20-15-7-5-6-11(2)12(15)3/h8-12,15,19H,4-7H2,1-3H3,(H,20,21)
InChIKeyFNUKWLACEWPORQ-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.33
Rot. Bonds4

About 5-chloro-N-(2,3-dimethylcyclohexyl)-2-(ethylamino)benzamide

5-chloro-N-(2,3-dimethylcyclohexyl)-2-(ethylamino)benzamide (PubChem CID 63500408) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 5-chloro-N-(2,3-dimethylcyclohexyl)-2-(ethylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-(2,3-dimethylcyclohexyl)-2-(ethylamino)benzamide
PubChem CID63500408
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name5-chloro-N-(2,3-dimethylcyclohexyl)-2-(ethylamino)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NC1CCCC(C)C1C
InChIInChI=1S/C17H25ClN2O/c1-4-19-16-9-8-13(18)10-14(16)17(21)20-15-7-5-6-11(2)12(15)3/h8-12,15,19H,4-7H2,1-3H3,(H,20,21)
InChIKeyFNUKWLACEWPORQ-UHFFFAOYSA-N
XLogP4.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide
CID 43007916
N-(2,3-dimethylcyclopentyl)-2-(ethylamino)-5-methylbenzamide
CID 64922871
5-chloro-N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzamide
CID 64920702
N-(2,3-dimethylcyclohexyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81236631
3-chloro-N-(2,3-dimethylcyclohexyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62165310
5-chloro-2-(ethylamino)-N-[(2-methylcyclohexyl)methyl]benzamide
CID 63500607
5-chloro-N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide
CID 62359667
N-(2,3-dimethylcyclopentyl)-2-(ethylamino)benzamide
CID 64923029
5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
CID 62173260
5-chloro-N-(cyclohexylmethyl)-2-(ethylamino)benzamide
CID 63500418
1-[(5-chloro-2-fluorobenzoyl)amino]-3-[(1S,2R,3R)-2,3-dimethylcyclohexyl]thiourea
CID 11936447
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2435807

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,3-dimethylcyclohexyl)-2-(ethylamino)benzamide?
The IUPAC name of 5-chloro-N-(2,3-dimethylcyclohexyl)-2-(ethylamino)benzamide (CID 63500408) is 5-chloro-N-(2,3-dimethylcyclohexyl)-2-(ethylamino)benzamide.
What is the SMILES notation for 5-chloro-N-(2,3-dimethylcyclohexyl)-2-(ethylamino)benzamide?
The canonical SMILES for 5-chloro-N-(2,3-dimethylcyclohexyl)-2-(ethylamino)benzamide is CCNc1ccc(Cl)cc1C(=O)NC1CCCC(C)C1C.
What is the InChIKey of 5-chloro-N-(2,3-dimethylcyclohexyl)-2-(ethylamino)benzamide?
The InChIKey is FNUKWLACEWPORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-4-19-16-9-8-13(18)10-14(16)17(21)20-15-7-5-6-11(2)12(15)3/h8-12,15,19H,4-7H2,1-3H3,(H,20,21).
What are the key properties of 5-chloro-N-(2,3-dimethylcyclohexyl)-2-(ethylamino)benzamide?
5-chloro-N-(2,3-dimethylcyclohexyl)-2-(ethylamino)benzamide has a molecular weight of 308.85 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,3-dimethylcyclohexyl)-2-(ethylamino)benzamide is sourced from PubChem (CID 63500408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).