(2S)-N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxyphenoxy)butanamide

C24H22ClNO4 — CID 99952036

IUPAC(2S)-N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxyphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C24H22ClNO4/c1-3-22(30-19-11-7-10-18(15-19)29-2)24(28)26-21-13-12-17(25)14-20(21)23(27)16-8-5-4-6-9-16/h4-15,22H,3H2,1-2H3,(H,26,28)/t22-/m0/s1
InChIKeyVSQCNVDVKPXOFR-QFIPXVFZSA-N
MW423.90 g/mol
LogP5.38
Rot. Bonds8

About (2S)-N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxyphenoxy)butanamide

(2S)-N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxyphenoxy)butanamide (PubChem CID 99952036) has the molecular formula C24H22ClNO4 and a molecular weight of 423.90 g/mol. Its IUPAC name is (2S)-N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxyphenoxy)butanamide
PubChem CID99952036
Molecular FormulaC24H22ClNO4
Molecular Weight423.90 g/mol
Exact Mass423.12
IUPAC Name(2S)-N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxyphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C24H22ClNO4/c1-3-22(30-19-11-7-10-18(15-19)29-2)24(28)26-21-13-12-17(25)14-20(21)23(27)16-8-5-4-6-9-16/h4-15,22H,3H2,1-2H3,(H,26,28)/t22-/m0/s1
InChIKeyVSQCNVDVKPXOFR-QFIPXVFZSA-N
XLogP5.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.90
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxyphenoxy)butanamide 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

(2R)-N-(2-benzoyl-4-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92681200
N-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide
CID 46772626
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 92679526
(2R)-N-(4-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 894853
methyl 2-[2-(3-chlorophenoxy)butanoylamino]benzoate
CID 43904326
N-(2,5-dichlorophenyl)-2-phenoxybutanamide
CID 2886435
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
ethyl 2-[[(2S)-2-(3-methoxyphenoxy)butanoyl]amino]benzoate
CID 30391174
(2R)-N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 28632431
(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 879700
(2R)-N-(2,6-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide
CID 28577552
N-(2-benzoylphenyl)-2-(4-fluorophenoxy)butanamide
CID 132656695

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxyphenoxy)butanamide?
The IUPAC name of (2S)-N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxyphenoxy)butanamide (CID 99952036) is (2S)-N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxyphenoxy)butanamide.
What is the SMILES notation for (2S)-N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxyphenoxy)butanamide?
The canonical SMILES for (2S)-N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxyphenoxy)butanamide is CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of (2S)-N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxyphenoxy)butanamide?
The InChIKey is VSQCNVDVKPXOFR-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22ClNO4/c1-3-22(30-19-11-7-10-18(15-19)29-2)24(28)26-21-13-12-17(25)14-20(21)23(27)16-8-5-4-6-9-16/h4-15,22H,3H2,1-2H3,(H,26,28)/t22-/m0/s1.
What are the key properties of (2S)-N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxyphenoxy)butanamide?
(2S)-N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxyphenoxy)butanamide has a molecular weight of 423.90 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-benzoyl-4-chlorophenyl)-2-(3-methoxyphenoxy)butanamide is sourced from PubChem (CID 99952036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).