2-(4-chlorophenyl)-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid

C19H20ClNO4 — CID 120977802

IUPAC2-(4-chlorophenyl)-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(COC)cc1)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO4/c1-3-19(18(23)24,15-8-10-16(20)11-9-15)21-17(22)14-6-4-13(5-7-14)12-25-2/h4-11H,3,12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyQVVDSXZLMRCYKZ-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.61
Rot. Bonds7

About 2-(4-chlorophenyl)-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid

2-(4-chlorophenyl)-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid (PubChem CID 120977802) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid
PubChem CID120977802
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name2-(4-chlorophenyl)-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(COC)cc1)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO4/c1-3-19(18(23)24,15-8-10-16(20)11-9-15)21-17(22)14-6-4-13(5-7-14)12-25-2/h4-11H,3,12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyQVVDSXZLMRCYKZ-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-2-[(1-propylpyrazole-4-carbonyl)amino]butanoic acid
CID 120977736
2-ethyl-2-[[[4-(methoxymethyl)benzoyl]amino]methyl]butanoic acid
CID 115429725
N-(3-ethylpent-1-yn-3-yl)-4-(methoxymethyl)benzamide
CID 18165913
2-(4-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]butanoic acid
CID 120977808
2-(4-chlorophenyl)-2-[(1-cyclopropylpyrazole-4-carbonyl)amino]butanoic acid
CID 136556361
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8623654
2-(4-chlorophenyl)-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 120977793
2-(4-chlorophenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]butanoic acid
CID 120977689
2-(4-chlorophenyl)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 120977741
N-(1-amino-2-methylpropan-2-yl)-4-(methoxymethyl)benzamide
CID 119524261
2-(4-chlorophenyl)-2-[[4-oxo-4-(propylamino)butanoyl]amino]butanoic acid
CID 120977719
N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide
CID 65112007

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid (CID 120977802) is 2-(4-chlorophenyl)-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid is CCC(NC(=O)c1ccc(COC)cc1)(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid?
The InChIKey is QVVDSXZLMRCYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-3-19(18(23)24,15-8-10-16(20)11-9-15)21-17(22)14-6-4-13(5-7-14)12-25-2/h4-11H,3,12H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-(4-chlorophenyl)-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid?
2-(4-chlorophenyl)-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid has a molecular weight of 361.83 g/mol, XLogP of 3.61, 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-[[4-(methoxymethyl)benzoyl]amino]butanoic acid is sourced from PubChem (CID 120977802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).