N-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide

C14H12BrClN2O — CID 81290329

IUPACN-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide
SMILESCc1cc(N)ccc1NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H12BrClN2O/c1-8-6-10(17)3-5-13(8)18-14(19)9-2-4-11(15)12(16)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyUPLWOZXBIGSHNA-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.25
Rot. Bonds2

About N-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide

N-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide (PubChem CID 81290329) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide
PubChem CID81290329
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC NameN-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide
SMILESCc1cc(N)ccc1NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H12BrClN2O/c1-8-6-10(17)3-5-13(8)18-14(19)9-2-4-11(15)12(16)7-9/h2-7H,17H2,1H3,(H,18,19)
InChIKeyUPLWOZXBIGSHNA-UHFFFAOYSA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide 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-2-methylphenyl)-3,4-dichlorobenzamide
CID 16773684
N-(4-amino-2-bromophenyl)-3-chloro-4-methylbenzamide
CID 63194298
N-(4-amino-2-chlorophenyl)-3-bromo-4-methylbenzamide
CID 81470767
N-(4-amino-2-methylphenyl)-3-bromo-4-fluorobenzamide
CID 103807594
N-(2-amino-4-chlorophenyl)-4-bromo-3-chlorobenzamide
CID 81290030
4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid
CID 107997716
N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide
CID 63194249
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
N-(5-amino-2,4-dimethylphenyl)-3-chloro-4-methylbenzamide
CID 104756900
4-bromo-N-(2-chloro-4-fluorophenyl)-3-methylbenzamide
CID 112705655
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
N-(4-amino-2-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103807580

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide (CID 81290329) is N-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide is Cc1cc(N)ccc1NC(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide?
The InChIKey is UPLWOZXBIGSHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-6-10(17)3-5-13(8)18-14(19)9-2-4-11(15)12(16)7-9/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide?
N-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide has a molecular weight of 339.62 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-4-bromo-3-chlorobenzamide is sourced from PubChem (CID 81290329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).