5-chloro-2-(3,4-dichloroanilino)benzamide

C13H9Cl3N2O — CID 141087561

IUPAC5-chloro-2-(3,4-dichloroanilino)benzamide
SMILESNC(=O)c1cc(Cl)ccc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl3N2O/c14-7-1-4-12(9(5-7)13(17)19)18-8-2-3-10(15)11(16)6-8/h1-6,18H,(H2,17,19)
InChIKeyLNGPJUJZGBUPPB-UHFFFAOYSA-N
MW315.59 g/mol
LogP4.49
Rot. Bonds3

About 5-chloro-2-(3,4-dichloroanilino)benzamide

5-chloro-2-(3,4-dichloroanilino)benzamide (PubChem CID 141087561) has the molecular formula C13H9Cl3N2O and a molecular weight of 315.59 g/mol. Its IUPAC name is 5-chloro-2-(3,4-dichloroanilino)benzamide.

Molecular Properties

Compound Name5-chloro-2-(3,4-dichloroanilino)benzamide
PubChem CID141087561
Molecular FormulaC13H9Cl3N2O
Molecular Weight315.59 g/mol
Exact Mass313.98
IUPAC Name5-chloro-2-(3,4-dichloroanilino)benzamide
SMILESNC(=O)c1cc(Cl)ccc1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H9Cl3N2O/c14-7-1-4-12(9(5-7)13(17)19)18-8-2-3-10(15)11(16)6-8/h1-6,18H,(H2,17,19)
InChIKeyLNGPJUJZGBUPPB-UHFFFAOYSA-N
XLogP4.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.59
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-chloro-2-(3,4-dichloroanilino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-(3,4-dichloroanilino)benzenecarbothioamide
CID 55222534
5-chloro-2-(4-methyl-3-nitroanilino)benzamide
CID 141087466
5-(4-bromo-2-carbamoylanilino)-2-chlorobenzoic acid
CID 114890010
2-amino-5-(4-chloro-2-iodoanilino)benzamide
CID 107637821
2-(3,4-dichloroanilino)-5-methylbenzenecarbothioamide
CID 107928397
4-(5-amino-2-chloroanilino)-2-chlorobenzamide
CID 62944720
5-(3,4-dichloroanilino)-1H-pyrazole-4-carboxamide
CID 123557222
5-chloro-2-(3,5-dichloro-4-fluoroanilino)benzoic acid
CID 107575496
5-(4-carbamoyl-3-chloroanilino)-2-chlorobenzoic acid
CID 62945822
5-chloro-2-(pyrimidin-5-ylamino)benzenecarbothioamide
CID 107588817
2-amino-N-(2-carbamoyl-4-chlorophenyl)-5-chlorobenzamide
CID 172722121
5-amino-2-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 61359759

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,4-dichloroanilino)benzamide?
The IUPAC name of 5-chloro-2-(3,4-dichloroanilino)benzamide (CID 141087561) is 5-chloro-2-(3,4-dichloroanilino)benzamide.
What is the SMILES notation for 5-chloro-2-(3,4-dichloroanilino)benzamide?
The canonical SMILES for 5-chloro-2-(3,4-dichloroanilino)benzamide is NC(=O)c1cc(Cl)ccc1Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-chloro-2-(3,4-dichloroanilino)benzamide?
The InChIKey is LNGPJUJZGBUPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2O/c14-7-1-4-12(9(5-7)13(17)19)18-8-2-3-10(15)11(16)6-8/h1-6,18H,(H2,17,19).
What are the key properties of 5-chloro-2-(3,4-dichloroanilino)benzamide?
5-chloro-2-(3,4-dichloroanilino)benzamide has a molecular weight of 315.59 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,4-dichloroanilino)benzamide is sourced from PubChem (CID 141087561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).