4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide

C16H21ClN2O3 — CID 131943407

IUPAC4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cc(Cl)ccc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C16H21ClN2O3/c1-2-15(21)19-14-9-10(17)3-8-13(14)16(22)18-11-4-6-12(20)7-5-11/h3,8-9,11-12,20H,2,4-7H2,1H3,(H,18,22)(H,19,21)
InChIKeyTXSBZEWRJAAMNS-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.72
Rot. Bonds4

About 4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide

4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide (PubChem CID 131943407) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide
PubChem CID131943407
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cc(Cl)ccc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C16H21ClN2O3/c1-2-15(21)19-14-9-10(17)3-8-13(14)16(22)18-11-4-6-12(20)7-5-11/h3,8-9,11-12,20H,2,4-7H2,1H3,(H,18,22)(H,19,21)
InChIKeyTXSBZEWRJAAMNS-UHFFFAOYSA-N
XLogP2.72
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-ethylsulfanyl-N-(4-hydroxycyclohexyl)benzamide
CID 111969627
4-chloro-2-(propanoylamino)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzamide
CID 131912914
1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
CID 110890882
N-(2,4-dichlorophenyl)propanamide
CID 923083
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
4-chloro-2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 55917777
5-chloro-N-cyclopropyl-2-(methylamino)benzamide
CID 62171127
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
N-[5-chloro-2-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]phenyl]propanamide
CID 163315548
4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide
CID 119712108
4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61187742
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8664244

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide?
The IUPAC name of 4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide (CID 131943407) is 4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide.
What is the SMILES notation for 4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide?
The canonical SMILES for 4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide is CCC(=O)Nc1cc(Cl)ccc1C(=O)NC1CCC(O)CC1.
What is the InChIKey of 4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide?
The InChIKey is TXSBZEWRJAAMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-2-15(21)19-14-9-10(17)3-8-13(14)16(22)18-11-4-6-12(20)7-5-11/h3,8-9,11-12,20H,2,4-7H2,1H3,(H,18,22)(H,19,21).
What are the key properties of 4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide?
4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide has a molecular weight of 324.81 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-hydroxycyclohexyl)-2-(propanoylamino)benzamide is sourced from PubChem (CID 131943407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).