2-benzamido-3-(2,6-dichlorophenyl)propanoic acid

C16H13Cl2NO3 — CID 18186664

IUPAC2-benzamido-3-(2,6-dichlorophenyl)propanoic acid
SMILESO=C(NC(Cc1c(Cl)cccc1Cl)C(=O)O)c1ccccc1
InChIInChI=1S/C16H13Cl2NO3/c17-12-7-4-8-13(18)11(12)9-14(16(21)22)19-15(20)10-5-2-1-3-6-10/h1-8,14H,9H2,(H,19,20)(H,21,22)
InChIKeyHMOQFDFZSWEWGK-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.42
Rot. Bonds5

About 2-benzamido-3-(2,6-dichlorophenyl)propanoic acid

2-benzamido-3-(2,6-dichlorophenyl)propanoic acid (PubChem CID 18186664) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is 2-benzamido-3-(2,6-dichlorophenyl)propanoic acid.

Molecular Properties

Compound Name2-benzamido-3-(2,6-dichlorophenyl)propanoic acid
PubChem CID18186664
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Name2-benzamido-3-(2,6-dichlorophenyl)propanoic acid
SMILESO=C(NC(Cc1c(Cl)cccc1Cl)C(=O)O)c1ccccc1
InChIInChI=1S/C16H13Cl2NO3/c17-12-7-4-8-13(18)11(12)9-14(16(21)22)19-15(20)10-5-2-1-3-6-10/h1-8,14H,9H2,(H,19,20)(H,21,22)
InChIKeyHMOQFDFZSWEWGK-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzamido-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid
CID 3511443
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
(2S)-2-benzamido-3-bromopropanoic acid
CID 134897553
3-(2,6-dichlorophenyl)-2-methyl-1-phenylpropan-1-one
CID 113460047
2-benzamido-3-pyridin-4-ylpropanoic acid
CID 19602413
2-[(2,6-dichlorophenyl)methyl]propanedioic acid
CID 170895382
(2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid
CID 15679298
(2S)-2-benzamido-3-[4-(2-carboxyethyl)phenyl]propanoic acid
CID 70138871
2-benzamido-4-oxobutanoic acid
CID 19361902
(2S)-2-benzamido-4-chlorosulfanyl-4-oxobutanoic acid
CID 174297379
(2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid
CID 101236602
2-benzamido-3-phenylpropanoic acid;2-fluoroacetaldehyde
CID 131965188

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-3-(2,6-dichlorophenyl)propanoic acid?
The IUPAC name of 2-benzamido-3-(2,6-dichlorophenyl)propanoic acid (CID 18186664) is 2-benzamido-3-(2,6-dichlorophenyl)propanoic acid.
What is the SMILES notation for 2-benzamido-3-(2,6-dichlorophenyl)propanoic acid?
The canonical SMILES for 2-benzamido-3-(2,6-dichlorophenyl)propanoic acid is O=C(NC(Cc1c(Cl)cccc1Cl)C(=O)O)c1ccccc1.
What is the InChIKey of 2-benzamido-3-(2,6-dichlorophenyl)propanoic acid?
The InChIKey is HMOQFDFZSWEWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c17-12-7-4-8-13(18)11(12)9-14(16(21)22)19-15(20)10-5-2-1-3-6-10/h1-8,14H,9H2,(H,19,20)(H,21,22).
What are the key properties of 2-benzamido-3-(2,6-dichlorophenyl)propanoic acid?
2-benzamido-3-(2,6-dichlorophenyl)propanoic acid has a molecular weight of 338.19 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-3-(2,6-dichlorophenyl)propanoic acid is sourced from PubChem (CID 18186664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).