2-(4-chlorophenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]butanoic acid

C19H20ClNO4 — CID 120977689

IUPAC2-(4-chlorophenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cc1ccccc1OC)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO4/c1-3-19(18(23)24,14-8-10-15(20)11-9-14)21-17(22)12-13-6-4-5-7-16(13)25-2/h4-11H,3,12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyBACGRSHNFHMNDF-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.40
Rot. Bonds7

About 2-(4-chlorophenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]butanoic acid

2-(4-chlorophenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]butanoic acid (PubChem CID 120977689) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]butanoic acid
PubChem CID120977689
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name2-(4-chlorophenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cc1ccccc1OC)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO4/c1-3-19(18(23)24,14-8-10-15(20)11-9-14)21-17(22)12-13-6-4-5-7-16(13)25-2/h4-11H,3,12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyBACGRSHNFHMNDF-UHFFFAOYSA-N
XLogP3.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(chloromethyl)pentan-3-yl]-2-(2-methoxyphenyl)acetamide
CID 114304648
N-(1-chloro-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 114303827
2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid
CID 43618494
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
1-[2-(4-chlorophenyl)propan-2-yl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 113216281
N-(4-hydroxy-2-methylbutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 113343242
N-[2-(2-fluorophenyl)propan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 110446497
3-[[2-(2-methoxyphenyl)acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700989
5-chloro-2-[[2-(2-methoxyphenyl)acetyl]amino]benzoic acid
CID 2233630
2-(4-chlorophenyl)-2-[3-(oxan-4-yl)propanoylamino]butanoic acid
CID 120977792
4-chloro-N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 9060327
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7879185

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]butanoic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]butanoic acid (CID 120977689) is 2-(4-chlorophenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]butanoic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]butanoic acid is CCC(NC(=O)Cc1ccccc1OC)(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]butanoic acid?
The InChIKey is BACGRSHNFHMNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-3-19(18(23)24,14-8-10-15(20)11-9-14)21-17(22)12-13-6-4-5-7-16(13)25-2/h4-11H,3,12H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-(4-chlorophenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]butanoic acid?
2-(4-chlorophenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]butanoic acid has a molecular weight of 361.83 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]butanoic acid is sourced from PubChem (CID 120977689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).