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

C17H15ClF2N2O3 — CID 23645824

IUPAC2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H15ClF2N2O3/c1-10(16(23)24)22(9-11-4-2-3-5-13(11)18)17(25)21-15-7-6-12(19)8-14(15)20/h2-8,10H,9H2,1H3,(H,21,25)(H,23,24)
InChIKeyWMZBNGJPHYBACH-UHFFFAOYSA-N
MW368.77 g/mol
LogP4.13
Rot. Bonds5

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

2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]propanoic acid (PubChem CID 23645824) has the molecular formula C17H15ClF2N2O3 and a molecular weight of 368.77 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]propanoic acid
PubChem CID23645824
Molecular FormulaC17H15ClF2N2O3
Molecular Weight368.77 g/mol
Exact Mass368.07
IUPAC Name2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C17H15ClF2N2O3/c1-10(16(23)24)22(9-11-4-2-3-5-13(11)18)17(25)21-15-7-6-12(19)8-14(15)20/h2-8,10H,9H2,1H3,(H,21,25)(H,23,24)
InChIKeyWMZBNGJPHYBACH-UHFFFAOYSA-N
XLogP4.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.77
LogP ≤ 54.13
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
N-4-Fluorophenylureido-N-2-chlorobenzyl-L-alanine
CID 23645821
2-{[(3-chlorophenyl)carbamoyl][(2-chlorophenyl)methyl]amino}-N-hydroxypropanamide
CID 23645835
2-{[(4-chlorophenyl)carbamoyl][(2-chlorophenyl)methyl]amino}-N-hydroxypropanamide
CID 23645836
1-[(4-Chlorophenyl)methyl]-3-(3-fluorophenyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 3724708
1-[1-[(2-Chlorophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2-fluorophenyl)urea
CID 52944309
2-(N'-(4-chlorophenyl)ureido)-3-phenylpropanoic acid
CID 2974789
(2R)-1-[[5-chloro-2-(4-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid
CID 86287935
(2R)-1-[(5-chloro-4-fluoro-2-phenylphenyl)carbamoyl]azetidine-2-carboxylic acid
CID 86287936
(2R)-1-[[5-chloro-2-(2,3-difluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid
CID 86287938
(2R)-1-[[5-chloro-2-(2-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid
CID 86287939

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]propanoic acid (CID 23645824) is 2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]propanoic acid is CC(C(=O)O)N(Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]propanoic acid?
The InChIKey is WMZBNGJPHYBACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N2O3/c1-10(16(23)24)22(9-11-4-2-3-5-13(11)18)17(25)21-15-7-6-12(19)8-14(15)20/h2-8,10H,9H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]propanoic acid?
2-[(2-chlorophenyl)methyl-[(2,4-difluorophenyl)carbamoyl]amino]propanoic acid has a molecular weight of 368.77 g/mol, XLogP of 4.13, 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-[(2,4-difluorophenyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 23645824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).