N-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide

C18H19ClN2O3 — CID 110025284

IUPACN-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide
SMILESCC(=O)Nc1cc(Cl)ccc1NC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C18H19ClN2O3/c1-12(22)20-16-10-14(19)8-9-15(16)21-17(23)11-18(2,24)13-6-4-3-5-7-13/h3-10,24H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCDLUAENJDPWANQ-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.53
Rot. Bonds5

About N-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide

N-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide (PubChem CID 110025284) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide
PubChem CID110025284
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide
SMILESCC(=O)Nc1cc(Cl)ccc1NC(=O)CC(C)(O)c1ccccc1
InChIInChI=1S/C18H19ClN2O3/c1-12(22)20-16-10-14(19)8-9-15(16)21-17(23)11-18(2,24)13-6-4-3-5-7-13/h3-10,24H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyCDLUAENJDPWANQ-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
CID 110024296
5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide
CID 110024808
N-(2-acetamido-4-chlorophenyl)-2-chloroacetamide
CID 167791626
N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
CID 110024305
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-acetamido-5-chlorophenyl)-4-aminobutanamide;hydrochloride
CID 119308230
N-(5-chloro-2-phenylphenyl)acetamide
CID 11425106
N-(2-acetamido-4-chlorophenyl)-2-hydroxy-2-phenylacetamide
CID 111446363
N-(2,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 884679
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191503

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide (CID 110025284) is N-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide is CC(=O)Nc1cc(Cl)ccc1NC(=O)CC(C)(O)c1ccccc1.
What is the InChIKey of N-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide?
The InChIKey is CDLUAENJDPWANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12(22)20-16-10-14(19)8-9-15(16)21-17(23)11-18(2,24)13-6-4-3-5-7-13/h3-10,24H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide?
N-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide has a molecular weight of 346.81 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 110025284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).