5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide

C18H19ClN2O3 — CID 110024808

IUPAC5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cc(Cl)ccc1NC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C18H19ClN2O3/c1-18(24,12-6-4-3-5-7-12)11-16(22)21-15-9-8-13(19)10-14(15)17(23)20-2/h3-10,24H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyALACKOZCLQTJTA-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.94
Rot. Bonds5

About 5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide

5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide (PubChem CID 110024808) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide
PubChem CID110024808
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide
SMILESCNC(=O)c1cc(Cl)ccc1NC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C18H19ClN2O3/c1-18(24,12-6-4-3-5-7-12)11-16(22)21-15-9-8-13(19)10-14(15)17(23)20-2/h3-10,24H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyALACKOZCLQTJTA-UHFFFAOYSA-N
XLogP2.94
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide
CID 110025284
N-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
CID 110024296
2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide
CID 119284267
2-[[3-(4-chlorophenyl)-3-methylbutanoyl]amino]-N-methylbenzamide
CID 110615712
2-(4-aminopentanoylamino)-5-chloro-N-methylbenzamide
CID 120560026
4-[5-chloro-2-(methylcarbamoyl)anilino]-2,2-diethyl-4-oxobutanoic acid
CID 60531372
N-(3,5-dichloro-4-hydroxyphenyl)-3-hydroxy-3-phenylbutanamide
CID 110026377
N-(3-chloro-2-methoxyphenyl)-3-hydroxy-3-phenylbutanamide
CID 110025035
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
5-chloro-N-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide;hydrochloride
CID 119713991
N'-(2,4-difluorophenyl)-3-hydroxy-3-phenylbutanehydrazide
CID 110026067
N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 884679

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide?
The IUPAC name of 5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide (CID 110024808) is 5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide.
What is the SMILES notation for 5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide?
The canonical SMILES for 5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide is CNC(=O)c1cc(Cl)ccc1NC(=O)CC(C)(O)c1ccccc1.
What is the InChIKey of 5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide?
The InChIKey is ALACKOZCLQTJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-18(24,12-6-4-3-5-7-12)11-16(22)21-15-9-8-13(19)10-14(15)17(23)20-2/h3-10,24H,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide?
5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide has a molecular weight of 346.81 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide is sourced from PubChem (CID 110024808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).