2-(4-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]butanoic acid

C17H18ClNO4 — CID 120977808

IUPAC2-(4-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1cc(C)oc1C)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO4/c1-4-17(16(21)22,12-5-7-13(18)8-6-12)19-15(20)14-9-10(2)23-11(14)3/h5-9H,4H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyCNNLOWMZEJIPLH-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.67
Rot. Bonds5

About 2-(4-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]butanoic acid

2-(4-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]butanoic acid (PubChem CID 120977808) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]butanoic acid
PubChem CID120977808
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC Name2-(4-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1cc(C)oc1C)(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClNO4/c1-4-17(16(21)22,12-5-7-13(18)8-6-12)19-15(20)14-9-10(2)23-11(14)3/h5-9H,4H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyCNNLOWMZEJIPLH-UHFFFAOYSA-N
XLogP3.67
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]butanoic acid 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

2-(4-chlorophenyl)-2-[(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]butanoic acid
CID 120977793
2-(4-chlorophenyl)-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid
CID 120977802
N-[3-(aminomethyl)pentan-3-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 119570912
2-(4-chlorophenyl)-2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]butanoic acid
CID 120977669
2-(4-chlorophenyl)-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 120977741
2-(4-chlorophenyl)-2-[[4-oxo-4-(propylamino)butanoyl]amino]butanoic acid
CID 120977719
N-[2-[2-[(4-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55917649
(2R)-2-(4-chlorophenyl)-2-[[(2S)-1,4-dioxane-2-carbonyl]amino]butanoic acid
CID 125118753
(2S)-2-(4-chlorophenyl)-2-[[(2R)-1,4-dioxane-2-carbonyl]amino]butanoic acid
CID 125118751
N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylfuran-3-carboxamide
CID 43390484
2-(4-chlorophenyl)-2-[(1-propylpyrazole-4-carbonyl)amino]butanoic acid
CID 120977736
2-(4-chlorophenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]butanoic acid
CID 120977689

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]butanoic acid (CID 120977808) is 2-(4-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]butanoic acid is CCC(NC(=O)c1cc(C)oc1C)(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]butanoic acid?
The InChIKey is CNNLOWMZEJIPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4/c1-4-17(16(21)22,12-5-7-13(18)8-6-12)19-15(20)14-9-10(2)23-11(14)3/h5-9H,4H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]butanoic acid?
2-(4-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]butanoic acid has a molecular weight of 335.79 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 120977808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).