2-(2,5-dichlorophenyl)-N-[(2S)-3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide

C31H27Cl2NO4 — CID 58523180

IUPAC2-(2,5-dichlorophenyl)-N-[(2S)-3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide
SMILESO=C(Cc1cc(Cl)ccc1Cl)N[C@@H](COCc1ccccc1)C(=O)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C31H27Cl2NO4/c32-25-13-16-28(33)24(18-25)19-31(36)34-29(21-37-20-23-7-3-1-4-8-23)30(35)17-22-11-14-27(15-12-22)38-26-9-5-2-6-10-26/h1-16,18,29H,17,19-21H2,(H,34,36)/t29-/m0/s1
InChIKeyJHXXTUPWLFACFW-LJAQVGFWSA-N
MW548.47 g/mol
LogP6.84
Rot. Bonds12

About 2-(2,5-dichlorophenyl)-N-[(2S)-3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide

2-(2,5-dichlorophenyl)-N-[(2S)-3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide (PubChem CID 58523180) has the molecular formula C31H27Cl2NO4 and a molecular weight of 548.47 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-N-[(2S)-3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-N-[(2S)-3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide
PubChem CID58523180
Molecular FormulaC31H27Cl2NO4
Molecular Weight548.47 g/mol
Exact Mass547.13
IUPAC Name2-(2,5-dichlorophenyl)-N-[(2S)-3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide
SMILESO=C(Cc1cc(Cl)ccc1Cl)N[C@@H](COCc1ccccc1)C(=O)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C31H27Cl2NO4/c32-25-13-16-28(33)24(18-25)19-31(36)34-29(21-37-20-23-7-3-1-4-8-23)30(35)17-22-11-14-27(15-12-22)38-26-9-5-2-6-10-26/h1-16,18,29H,17,19-21H2,(H,34,36)/t29-/m0/s1
InChIKeyJHXXTUPWLFACFW-LJAQVGFWSA-N
XLogP6.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.47
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-dichlorophenyl)-N-[(2S)-3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide 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

N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide
CID 58523230
N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]hexanamide
CID 58523151
2-oxo-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide
CID 58523214
2-(1,3-benzodioxol-5-yl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide
CID 58523067
2-chloro-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]pyridine-3-carboxamide
CID 58523019
N-[4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-[2-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 58523220
N-[(2S)-4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-pyrazin-2-ylacetamide
CID 58523198
2-[[2-(3-chlorophenyl)acetyl]amino]-N-(4-phenoxyphenyl)-3-phenylmethoxypropanamide
CID 67009628
2-methoxy-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]-2-phenylacetamide
CID 58523051
2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-[(2S)-4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]acetamide
CID 58523123
4-(3,4-dimethoxyphenyl)-N-[3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]butanamide
CID 58523266
N-[(2S)-4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-piperazin-1-ylacetamide
CID 58522892

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-N-[(2S)-3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)-N-[(2S)-3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide (CID 58523180) is 2-(2,5-dichlorophenyl)-N-[(2S)-3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-N-[(2S)-3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)-N-[(2S)-3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide is O=C(Cc1cc(Cl)ccc1Cl)N[C@@H](COCc1ccccc1)C(=O)Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-N-[(2S)-3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide?
The InChIKey is JHXXTUPWLFACFW-LJAQVGFWSA-N. The full InChI is InChI=1S/C31H27Cl2NO4/c32-25-13-16-28(33)24(18-25)19-31(36)34-29(21-37-20-23-7-3-1-4-8-23)30(35)17-22-11-14-27(15-12-22)38-26-9-5-2-6-10-26/h1-16,18,29H,17,19-21H2,(H,34,36)/t29-/m0/s1.
What are the key properties of 2-(2,5-dichlorophenyl)-N-[(2S)-3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide?
2-(2,5-dichlorophenyl)-N-[(2S)-3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide has a molecular weight of 548.47 g/mol, XLogP of 6.84, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-N-[(2S)-3-oxo-4-(4-phenoxyphenyl)-1-phenylmethoxybutan-2-yl]acetamide is sourced from PubChem (CID 58523180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).