4-chloro-2-[[2-(3-chloroanilino)acetyl]amino]benzoic acid

C15H12Cl2N2O3 — CID 51051496

IUPAC4-chloro-2-[[2-(3-chloroanilino)acetyl]amino]benzoic acid
SMILESO=C(CNc1cccc(Cl)c1)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C15H12Cl2N2O3/c16-9-2-1-3-11(6-9)18-8-14(20)19-13-7-10(17)4-5-12(13)15(21)22/h1-7,18H,8H2,(H,19,20)(H,21,22)
InChIKeyHOFSMWXMQDYCFS-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.74
Rot. Bonds5

About 4-chloro-2-[[2-(3-chloroanilino)acetyl]amino]benzoic acid

4-chloro-2-[[2-(3-chloroanilino)acetyl]amino]benzoic acid (PubChem CID 51051496) has the molecular formula C15H12Cl2N2O3 and a molecular weight of 339.18 g/mol. Its IUPAC name is 4-chloro-2-[[2-(3-chloroanilino)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[[2-(3-chloroanilino)acetyl]amino]benzoic acid
PubChem CID51051496
Molecular FormulaC15H12Cl2N2O3
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC Name4-chloro-2-[[2-(3-chloroanilino)acetyl]amino]benzoic acid
SMILESO=C(CNc1cccc(Cl)c1)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C15H12Cl2N2O3/c16-9-2-1-3-11(6-9)18-8-14(20)19-13-7-10(17)4-5-12(13)15(21)22/h1-7,18H,8H2,(H,19,20)(H,21,22)
InChIKeyHOFSMWXMQDYCFS-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

2-(3-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9098819
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
CID 3880553
2-[[2-(3-methylanilino)acetyl]amino]benzoic acid
CID 10589114
N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 54839125
2-[[2-(3-fluoroanilino)acetyl]amino]benzoic acid
CID 10850874
4-chloro-2-[[2-(prop-2-ynylamino)acetyl]amino]benzoic acid
CID 79287048
N-(5-chloro-2-fluorophenyl)-2-(3-cyanoanilino)acetamide
CID 51183160
4-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52704581
N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809062
4-chloro-2-[(3-methoxy-3-methylbutanoyl)amino]benzoic acid
CID 103018039
N-(3-chlorophenyl)-2-(naphthalen-2-ylamino)acetamide
CID 9082694

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-(3-chloroanilino)acetyl]amino]benzoic acid?
The IUPAC name of 4-chloro-2-[[2-(3-chloroanilino)acetyl]amino]benzoic acid (CID 51051496) is 4-chloro-2-[[2-(3-chloroanilino)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[[2-(3-chloroanilino)acetyl]amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[[2-(3-chloroanilino)acetyl]amino]benzoic acid is O=C(CNc1cccc(Cl)c1)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[[2-(3-chloroanilino)acetyl]amino]benzoic acid?
The InChIKey is HOFSMWXMQDYCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3/c16-9-2-1-3-11(6-9)18-8-14(20)19-13-7-10(17)4-5-12(13)15(21)22/h1-7,18H,8H2,(H,19,20)(H,21,22).
What are the key properties of 4-chloro-2-[[2-(3-chloroanilino)acetyl]amino]benzoic acid?
4-chloro-2-[[2-(3-chloroanilino)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 4-chloro-2-[[2-(3-chloroanilino)acetyl]amino]benzoic acid is sourced from PubChem (CID 51051496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).