3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid

C14H8Cl3NO3 — CID 82811022

IUPAC3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(Cl)c(NC(=O)c2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H8Cl3NO3/c15-9-3-1-2-7(4-9)13(19)18-12-10(16)5-8(14(20)21)6-11(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyLXWSQUHAABPLBT-UHFFFAOYSA-N
MW344.58 g/mol
LogP4.60
Rot. Bonds3

About 3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid

3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid (PubChem CID 82811022) has the molecular formula C14H8Cl3NO3 and a molecular weight of 344.58 g/mol. Its IUPAC name is 3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid
PubChem CID82811022
Molecular FormulaC14H8Cl3NO3
Molecular Weight344.58 g/mol
Exact Mass342.96
IUPAC Name3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(Cl)c(NC(=O)c2cccc(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H8Cl3NO3/c15-9-3-1-2-7(4-9)13(19)18-12-10(16)5-8(14(20)21)6-11(12)17/h1-6H,(H,18,19)(H,20,21)
InChIKeyLXWSQUHAABPLBT-UHFFFAOYSA-N
XLogP4.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.58
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid
CID 82812539
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271
3-chloro-N-(4,6-dichloropyrimidin-5-yl)benzamide
CID 114074797
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 28667452
3-chloro-N-(2,4,5-trichlorophenyl)benzamide
CID 854431
benzoic acid;3-chlorobenzoic acid
CID 162034638
3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914551
3,5-dichloro-4-(furan-2-carbonylamino)benzoic acid
CID 82830924
3-[(2-chloro-6-methylphenyl)carbamoyl]benzoic acid
CID 66254685
4-(benzoylcarbamothioylamino)-3,5-dichlorobenzoic acid
CID 50850018
3-(chloromethyl)-N-(2,4,6-trichlorophenyl)benzamide
CID 43333552

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid?
The IUPAC name of 3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid (CID 82811022) is 3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid?
The canonical SMILES for 3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid is O=C(O)c1cc(Cl)c(NC(=O)c2cccc(Cl)c2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid?
The InChIKey is LXWSQUHAABPLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3NO3/c15-9-3-1-2-7(4-9)13(19)18-12-10(16)5-8(14(20)21)6-11(12)17/h1-6H,(H,18,19)(H,20,21).
What are the key properties of 3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid?
3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid has a molecular weight of 344.58 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 82811022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).