4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide

C13H8Cl3FN2O — CID 107571216

IUPAC4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)cc1Cl
InChIInChI=1S/C13H8Cl3FN2O/c14-8-3-6(1-2-11(8)18)13(20)19-7-4-9(15)12(17)10(16)5-7/h1-5H,18H2,(H,19,20)
InChIKeyLFRJFAOEUWBCPU-UHFFFAOYSA-N
MW333.58 g/mol
LogP4.62
Rot. Bonds2

About 4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide

4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide (PubChem CID 107571216) has the molecular formula C13H8Cl3FN2O and a molecular weight of 333.58 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
PubChem CID107571216
Molecular FormulaC13H8Cl3FN2O
Molecular Weight333.58 g/mol
Exact Mass331.97
IUPAC Name4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)cc1Cl
InChIInChI=1S/C13H8Cl3FN2O/c14-8-3-6(1-2-11(8)18)13(20)19-7-4-9(15)12(17)10(16)5-7/h1-5H,18H2,(H,19,20)
InChIKeyLFRJFAOEUWBCPU-UHFFFAOYSA-N
XLogP4.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.58
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)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

N-(4-amino-3-chlorophenyl)-4-bromo-3-fluorobenzamide
CID 82861950
4-amino-3-chloro-N-(5-fluoro-3-pyridinyl)benzamide
CID 114254070
N-(3,5-dichloro-4-fluorophenyl)-4-(methylamino)benzamide
CID 107578422
4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836867
2-amino-4-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571179
4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79769352
N-(3-amino-4-chlorophenyl)-3-chloro-4-fluorobenzamide
CID 82875366
N-(4-amino-3-chlorophenyl)-3,5-dibromobenzamide
CID 107971082
5,6-dichloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 107573379
2-amino-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzamide
CID 107578408
3-amino-N-(4-chlorophenyl)-4-fluorobenzamide
CID 39364346
4-amino-3,5-dichloro-N-(3,4,5-trifluorophenyl)benzamide
CID 82811248

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide?
The IUPAC name of 4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide (CID 107571216) is 4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide.
What is the SMILES notation for 4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide?
The canonical SMILES for 4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide is Nc1ccc(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)cc1Cl.
What is the InChIKey of 4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide?
The InChIKey is LFRJFAOEUWBCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3FN2O/c14-8-3-6(1-2-11(8)18)13(20)19-7-4-9(15)12(17)10(16)5-7/h1-5H,18H2,(H,19,20).
What are the key properties of 4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide?
4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide has a molecular weight of 333.58 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide is sourced from PubChem (CID 107571216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).