2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]propanoic acid

C17H16ClFN2O3 — CID 23645821

IUPAC2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O3/c1-11(16(22)23)21(10-12-4-2-3-5-15(12)18)17(24)20-14-8-6-13(19)7-9-14/h2-9,11H,10H2,1H3,(H,20,24)(H,22,23)
InChIKeyIYHVJDWMCZYYNH-UHFFFAOYSA-N
MW350.78 g/mol
LogP3.99
Rot. Bonds5

About 2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]propanoic acid

2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]propanoic acid (PubChem CID 23645821) has the molecular formula C17H16ClFN2O3 and a molecular weight of 350.78 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]propanoic acid
PubChem CID23645821
Molecular FormulaC17H16ClFN2O3
Molecular Weight350.78 g/mol
Exact Mass350.08
IUPAC Name2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H16ClFN2O3/c1-11(16(22)23)21(10-12-4-2-3-5-15(12)18)17(24)20-14-8-6-13(19)7-9-14/h2-9,11H,10H2,1H3,(H,20,24)(H,22,23)
InChIKeyIYHVJDWMCZYYNH-UHFFFAOYSA-N
XLogP3.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-{[(2-chlorophenyl)methyl][(4-fluorophenyl)carbamoyl]amino}-N-hydroxypropanamide
CID 23645834
2-{[(2-chlorophenyl)methyl][(2,4-difluorophenyl)carbamoyl]amino}-N-hydroxypropanamide
CID 23645837
2-{[(2-Chlorophenyl)methyl][(2,4-difluorophenyl)carbamoyl]amino}propanoic acid
CID 23645824
2-{[(3-chlorophenyl)carbamoyl][(2-chlorophenyl)methyl]amino}-N-hydroxypropanamide
CID 23645835
2-{[(4-chlorophenyl)carbamoyl][(2-chlorophenyl)methyl]amino}-N-hydroxypropanamide
CID 23645836
(R)-N2-(4-Chlorobenzyl)-N1-(4-fluorophenyl)-N2-methylpyrrolidine-1,2-dicarboxamide
CID 25233580
1-[1-[(2-Chloro-6-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea
CID 50899741
1-[1-[(2-Chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-fluorophenyl)urea
CID 52944309
1-[1-[(2-Chloro-4-fluorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(3-ethylphenyl)urea
CID 52946740
N-[1-(2-chloro-6-fluorobenzyl)-4-piperidinyl]-N'-phenylurea
CID 2810577
N-[(2-chlorophenyl)methyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 2462331
(R)-N2-(4-Fluorobenzyl)-N1-(4-chlorophenyl)-N2-methylpyrrolidine-1,2-dicarboxamide
CID 25231480

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]propanoic acid (CID 23645821) is 2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]propanoic acid is CC(C(=O)O)N(Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]propanoic acid?
The InChIKey is IYHVJDWMCZYYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3/c1-11(16(22)23)21(10-12-4-2-3-5-15(12)18)17(24)20-14-8-6-13(19)7-9-14/h2-9,11H,10H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]propanoic acid?
2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]propanoic acid has a molecular weight of 350.78 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-[(4-fluorophenyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 23645821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).