3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid

C16H13Cl2NO3 — CID 155944087

IUPAC3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H13Cl2NO3/c17-12-7-4-8-13(18)14(12)15(20)19-9-11(16(21)22)10-5-2-1-3-6-10/h1-8,11H,9H2,(H,19,20)(H,21,22)
InChIKeyUJBXJTYWHAYUES-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.59
Rot. Bonds5

About 3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid

3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid (PubChem CID 155944087) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is 3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid
PubChem CID155944087
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Name3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H13Cl2NO3/c17-12-7-4-8-13(18)14(12)15(20)19-9-11(16(21)22)10-5-2-1-3-6-10/h1-8,11H,9H2,(H,19,20)(H,21,22)
InChIKeyUJBXJTYWHAYUES-UHFFFAOYSA-N
XLogP3.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-chlorofuran-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62883681
2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 62883489
5-[(2-carboxy-2-phenylethyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 162349981
3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid
CID 120528815
2-[(2,6-dichlorobenzoyl)amino]-2-phenylacetic acid
CID 43079894
3-benzamido-2-(2-chlorophenyl)propanoic acid
CID 170945297
3-[(4-iodobenzoyl)amino]-2-phenylpropanoic acid
CID 62883684
3-[(2-fluorobenzoyl)amino]-2-phenylpropanoic acid
CID 62882788
2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid
CID 102921485
3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62884347
3-(furan-3-carbonylamino)-2-phenylpropanoic acid
CID 62883834
3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid
CID 81066303

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid (CID 155944087) is 3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid is O=C(NCC(C(=O)O)c1ccccc1)c1c(Cl)cccc1Cl.
What is the InChIKey of 3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid?
The InChIKey is UJBXJTYWHAYUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c17-12-7-4-8-13(18)14(12)15(20)19-9-11(16(21)22)10-5-2-1-3-6-10/h1-8,11H,9H2,(H,19,20)(H,21,22).
What are the key properties of 3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid?
3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid has a molecular weight of 338.19 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 155944087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).