N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide

C15H11BrClN3O — CID 107801239

IUPACN-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C15H11BrClN3O/c1-19-13-5-4-11(17)7-12(13)15(21)20-14-6-10(16)3-2-9(14)8-18/h2-7,19H,1H3,(H,20,21)
InChIKeyCEUIEIKDFLSDHQ-UHFFFAOYSA-N
MW364.63 g/mol
LogP4.27
Rot. Bonds3

About N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide

N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide (PubChem CID 107801239) has the molecular formula C15H11BrClN3O and a molecular weight of 364.63 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide
PubChem CID107801239
Molecular FormulaC15H11BrClN3O
Molecular Weight364.63 g/mol
Exact Mass362.98
IUPAC NameN-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)Nc1cc(Br)ccc1C#N
InChIInChI=1S/C15H11BrClN3O/c1-19-13-5-4-11(17)7-12(13)15(21)20-14-6-10(16)3-2-9(14)8-18/h2-7,19H,1H3,(H,20,21)
InChIKeyCEUIEIKDFLSDHQ-UHFFFAOYSA-N
XLogP4.27
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)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-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide
CID 107799477
5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide
CID 62167777
N-(5-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzamide
CID 104880310
N-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide
CID 104880416
3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide
CID 107938883
N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide
CID 104880414
N-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide
CID 107801633
N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
CID 104880179
5-chloro-N-(4-cyanophenyl)-2-(methylamino)benzamide
CID 62166046
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide
CID 104880244
4-amino-N-(5-bromo-2-cyanophenyl)-2-chlorobenzamide
CID 107796924

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide (CID 107801239) is N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide is CNc1ccc(Cl)cc1C(=O)Nc1cc(Br)ccc1C#N.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide?
The InChIKey is CEUIEIKDFLSDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3O/c1-19-13-5-4-11(17)7-12(13)15(21)20-14-6-10(16)3-2-9(14)8-18/h2-7,19H,1H3,(H,20,21).
What are the key properties of N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide?
N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide has a molecular weight of 364.63 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide is sourced from PubChem (CID 107801239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).