2-[[2-(3,4-dichloroanilino)acetyl]amino]benzoic acid

C15H12Cl2N2O3 — CID 11302201

IUPAC2-[[2-(3,4-dichloroanilino)acetyl]amino]benzoic acid
SMILESO=C(CNc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H12Cl2N2O3/c16-11-6-5-9(7-12(11)17)18-8-14(20)19-13-4-2-1-3-10(13)15(21)22/h1-7,18H,8H2,(H,19,20)(H,21,22)
InChIKeyATARIFGMWSPXFS-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.74
Rot. Bonds5

About 2-[[2-(3,4-dichloroanilino)acetyl]amino]benzoic acid

2-[[2-(3,4-dichloroanilino)acetyl]amino]benzoic acid (PubChem CID 11302201) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is 2-[[2-(3,4-dichloroanilino)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-(3,4-dichloroanilino)acetyl]amino]benzoic acid
PubChem CID11302201
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name2-[[2-(3,4-dichloroanilino)acetyl]amino]benzoic acid
SMILESO=C(CNc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C15H12Cl2N2O3/c16-11-6-5-9(7-12(11)17)18-8-14(20)19-13-4-2-1-3-10(13)15(21)22/h1-7,18H,8H2,(H,19,20)(H,21,22)
InChIKeyATARIFGMWSPXFS-UHFFFAOYSA-N
XLogP3.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(4-Chloroanilino)benzoic acid
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2-((2,3-Dichlorophenyl)amino)benzoic acid
CID 71194
1-(2-Carboxyphenyl)-3-(4-chlorophenyl)urea
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2-((4-Chlorobenzyl)amino)benzoic acid
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4-Chloro-2-(phenylamino)benzoic acid
CID 615334
2-{[(3,5-Dichlorophenyl)carbamoyl]amino}benzoic acid
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2-((3-Chlorophenyl)amino)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichloroanilino)acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-(3,4-dichloroanilino)acetyl]amino]benzoic acid (CID 11302201) is 2-[[2-(3,4-dichloroanilino)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-(3,4-dichloroanilino)acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-(3,4-dichloroanilino)acetyl]amino]benzoic acid is O=C(CNc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-(3,4-dichloroanilino)acetyl]amino]benzoic acid?
The InChIKey is ATARIFGMWSPXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c16-11-6-5-9(7-12(11)17)18-8-14(20)19-13-4-2-1-3-10(13)15(21)22/h1-7,18H,8H2,(H,19,20)(H,21,22).
What are the key properties of 2-[[2-(3,4-dichloroanilino)acetyl]amino]benzoic acid?
2-[[2-(3,4-dichloroanilino)acetyl]amino]benzoic acid has a molecular weight of 339.18 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichloroanilino)acetyl]amino]benzoic acid is sourced from PubChem (CID 11302201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).