3-[[2-fluoro-4-(4-fluorophenyl)benzoyl]-propan-2-ylamino]propanoic acid

C19H19F2NO3 — CID 119206988

IUPAC3-[[2-fluoro-4-(4-fluorophenyl)benzoyl]-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)c1ccc(-c2ccc(F)cc2)cc1F
InChIInChI=1S/C19H19F2NO3/c1-12(2)22(10-9-18(23)24)19(25)16-8-5-14(11-17(16)21)13-3-6-15(20)7-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,23,24)
InChIKeyXVIZUDNLCHZBGU-UHFFFAOYSA-N
MW347.36 g/mol
LogP3.96
Rot. Bonds6

About 3-[[2-fluoro-4-(4-fluorophenyl)benzoyl]-propan-2-ylamino]propanoic acid

3-[[2-fluoro-4-(4-fluorophenyl)benzoyl]-propan-2-ylamino]propanoic acid (PubChem CID 119206988) has the molecular formula C19H19F2NO3 and a molecular weight of 347.36 g/mol. Its IUPAC name is 3-[[2-fluoro-4-(4-fluorophenyl)benzoyl]-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-fluoro-4-(4-fluorophenyl)benzoyl]-propan-2-ylamino]propanoic acid
PubChem CID119206988
Molecular FormulaC19H19F2NO3
Molecular Weight347.36 g/mol
Exact Mass347.13
IUPAC Name3-[[2-fluoro-4-(4-fluorophenyl)benzoyl]-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)c1ccc(-c2ccc(F)cc2)cc1F
InChIInChI=1S/C19H19F2NO3/c1-12(2)22(10-9-18(23)24)19(25)16-8-5-14(11-17(16)21)13-3-6-15(20)7-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,23,24)
InChIKeyXVIZUDNLCHZBGU-UHFFFAOYSA-N
XLogP3.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[[2-fluoro-4-(4-fluorophenyl)benzoyl]-propan-2-ylamino]propanoic 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

3-[(2-bromo-5-fluorobenzoyl)-propan-2-ylamino]propanoic acid
CID 60832760
4-[(2-chloro-4-fluorobenzoyl)-propan-2-ylamino]butanoic acid
CID 60830756
3-[(2,4-dichlorobenzoyl)-propan-2-ylamino]propanoic acid
CID 60830882
N-(2-bromoethyl)-2,4-difluoro-N-propan-2-ylbenzamide
CID 80665263
3-[propan-2-yl-(2,4,6-trifluorobenzoyl)amino]propanoic acid
CID 65100947
3-[[2-(2,5-difluorophenyl)acetyl]-propan-2-ylamino]propanoic acid
CID 119207310
3-[(2-bromo-5-chlorobenzoyl)-propan-2-ylamino]propanoic acid
CID 103925591
3-[(2-hydroxybenzoyl)-propan-2-ylamino]propanoic acid
CID 60830374
2-[butan-2-yl-(2,4-difluorobenzoyl)amino]acetic acid
CID 54925865
3-[(2-chloro-5-hydroxybenzoyl)-propan-2-ylamino]propanoic acid
CID 106500210
4-[(3,4-difluorobenzoyl)-propan-2-ylamino]butanoic acid
CID 60826122
3-[(2,5-dimethylthiophene-3-carbonyl)-propan-2-ylamino]propanoic acid
CID 60830580

Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-4-(4-fluorophenyl)benzoyl]-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[[2-fluoro-4-(4-fluorophenyl)benzoyl]-propan-2-ylamino]propanoic acid (CID 119206988) is 3-[[2-fluoro-4-(4-fluorophenyl)benzoyl]-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[[2-fluoro-4-(4-fluorophenyl)benzoyl]-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[[2-fluoro-4-(4-fluorophenyl)benzoyl]-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)c1ccc(-c2ccc(F)cc2)cc1F.
What is the InChIKey of 3-[[2-fluoro-4-(4-fluorophenyl)benzoyl]-propan-2-ylamino]propanoic acid?
The InChIKey is XVIZUDNLCHZBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO3/c1-12(2)22(10-9-18(23)24)19(25)16-8-5-14(11-17(16)21)13-3-6-15(20)7-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,23,24).
What are the key properties of 3-[[2-fluoro-4-(4-fluorophenyl)benzoyl]-propan-2-ylamino]propanoic acid?
3-[[2-fluoro-4-(4-fluorophenyl)benzoyl]-propan-2-ylamino]propanoic acid has a molecular weight of 347.36 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-4-(4-fluorophenyl)benzoyl]-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 119206988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).