4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide

C14H12BrClN2O — CID 81262936

IUPAC4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(Cl)ccc2Br)ccc1N
InChIInChI=1S/C14H12BrClN2O/c1-8-6-9(2-5-12(8)17)14(19)18-13-7-10(16)3-4-11(13)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyCCSAVQZBUFFIOZ-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.25
Rot. Bonds2

About 4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide

4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide (PubChem CID 81262936) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
PubChem CID81262936
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cc(Cl)ccc2Br)ccc1N
InChIInChI=1S/C14H12BrClN2O/c1-8-6-9(2-5-12(8)17)14(19)18-13-7-10(16)3-4-11(13)15/h2-7H,17H2,1H3,(H,18,19)
InChIKeyCCSAVQZBUFFIOZ-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'}

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Related Compounds

N-(2-amino-5-chlorophenyl)-3-fluoro-4-methylbenzamide
CID 16771232
N-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide
CID 81270417
N-(2-amino-4-chlorophenyl)-4-bromo-3-chlorobenzamide
CID 81290030
N-(2-bromo-4-chlorophenyl)-4-hydrazinyl-3-methylbenzamide
CID 81275140
N-(2-bromo-5-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81272102
4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide
CID 82761895
3-amino-4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 107812913
N-(2-bromo-5-chlorophenyl)-4-methoxybenzamide
CID 81271849
3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide
CID 82761463
N-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 103753535
4-amino-N-(5-bromo-2-fluorophenyl)-3-methylbenzamide
CID 43555167
N-(2-amino-5-chlorophenyl)-4-chlorobenzamide
CID 16771665

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide?
The IUPAC name of 4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide (CID 81262936) is 4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide?
The canonical SMILES for 4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide is Cc1cc(C(=O)Nc2cc(Cl)ccc2Br)ccc1N.
What is the InChIKey of 4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide?
The InChIKey is CCSAVQZBUFFIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-6-9(2-5-12(8)17)14(19)18-13-7-10(16)3-4-11(13)15/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide?
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide 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 4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide is sourced from PubChem (CID 81262936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).