2-[5-[(1-carboxy-1-hydroxy-3-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]benzoic acid

C24H20FNO6 — CID 71073713

IUPAC2-[5-[(1-carboxy-1-hydroxy-3-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]benzoic acid
SMILESO=C(NC(Cc1ccccc1)C(O)C(=O)O)c1ccc(F)c(-c2ccccc2C(=O)O)c1
InChIInChI=1S/C24H20FNO6/c25-19-11-10-15(13-18(19)16-8-4-5-9-17(16)23(29)30)22(28)26-20(21(27)24(31)32)12-14-6-2-1-3-7-14/h1-11,13,20-21,27H,12H2,(H,26,28)(H,29,30)(H,31,32)
InChIKeyUMWDFONHMVVXNT-UHFFFAOYSA-N
MW437.42 g/mol
LogP2.98
Rot. Bonds8

About 2-[5-[(1-carboxy-1-hydroxy-3-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]benzoic acid

2-[5-[(1-carboxy-1-hydroxy-3-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]benzoic acid (PubChem CID 71073713) has the molecular formula C24H20FNO6 and a molecular weight of 437.42 g/mol. Its IUPAC name is 2-[5-[(1-carboxy-1-hydroxy-3-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]benzoic acid.

Molecular Properties

Compound Name2-[5-[(1-carboxy-1-hydroxy-3-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]benzoic acid
PubChem CID71073713
Molecular FormulaC24H20FNO6
Molecular Weight437.42 g/mol
Exact Mass437.13
IUPAC Name2-[5-[(1-carboxy-1-hydroxy-3-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]benzoic acid
SMILESO=C(NC(Cc1ccccc1)C(O)C(=O)O)c1ccc(F)c(-c2ccccc2C(=O)O)c1
InChIInChI=1S/C24H20FNO6/c25-19-11-10-15(13-18(19)16-8-4-5-9-17(16)23(29)30)22(28)26-20(21(27)24(31)32)12-14-6-2-1-3-7-14/h1-11,13,20-21,27H,12H2,(H,26,28)(H,29,30)(H,31,32)
InChIKeyUMWDFONHMVVXNT-UHFFFAOYSA-N
XLogP2.98
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[5-[(1-carboxy-1-hydroxy-3-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]benzoic 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-[3-[[(1R,2R)-1-carboxy-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]phenyl]benzoic acid
CID 71073546
2-[(1,1-dihydroxy-3-phenylpropan-2-yl)carbamoyl]benzoic acid
CID 123353160
ethyl (2R,3R)-3-[(3-bromo-4-fluorobenzoyl)amino]-2-hydroxy-4-phenylbutanoate
CID 71073975
2-[4-[[(1R,2R)-1-carboxy-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutyl]benzoic acid
CID 71073718
2-[[4-[[(1R,2R)-1-carboxy-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]phenyl]carbamoylamino]-5-methylthiophene-3-carboxylic acid
CID 71074223
5-[(1-carboxy-1-hydroxy-3-phenylpropan-2-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 71074543
methyl (2S)-2-[(3,4-difluorobenzoyl)amino]-3-phenylpropanoate
CID 38031742
3-[(2-chloroacetyl)amino]-2-hydroxy-4-phenylbutanoic acid
CID 12945691
N-(1-chloro-3-phenylpropan-2-yl)-3,4-difluorobenzamide
CID 74554933
4-fluoro-3-methyl-N-(1-phenylpropan-2-yl)benzamide
CID 63213334
(2S,3R)-3-[(5-chloro-1H-indole-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoic acid
CID 10809326
(2S,3R)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 11067450

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1-carboxy-1-hydroxy-3-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]benzoic acid?
The IUPAC name of 2-[5-[(1-carboxy-1-hydroxy-3-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]benzoic acid (CID 71073713) is 2-[5-[(1-carboxy-1-hydroxy-3-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]benzoic acid.
What is the SMILES notation for 2-[5-[(1-carboxy-1-hydroxy-3-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]benzoic acid?
The canonical SMILES for 2-[5-[(1-carboxy-1-hydroxy-3-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]benzoic acid is O=C(NC(Cc1ccccc1)C(O)C(=O)O)c1ccc(F)c(-c2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[5-[(1-carboxy-1-hydroxy-3-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]benzoic acid?
The InChIKey is UMWDFONHMVVXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO6/c25-19-11-10-15(13-18(19)16-8-4-5-9-17(16)23(29)30)22(28)26-20(21(27)24(31)32)12-14-6-2-1-3-7-14/h1-11,13,20-21,27H,12H2,(H,26,28)(H,29,30)(H,31,32).
What are the key properties of 2-[5-[(1-carboxy-1-hydroxy-3-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]benzoic acid?
2-[5-[(1-carboxy-1-hydroxy-3-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]benzoic acid has a molecular weight of 437.42 g/mol, XLogP of 2.98, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1-carboxy-1-hydroxy-3-phenylpropan-2-yl)carbamoyl]-2-fluorophenyl]benzoic acid is sourced from PubChem (CID 71073713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).