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

C14H12BrClN2O — CID 43347143

IUPAC2-amino-N-(4-bromo-2-chlorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Br)cc2Cl)c1N
InChIInChI=1S/C14H12BrClN2O/c1-8-3-2-4-10(13(8)17)14(19)18-12-6-5-9(15)7-11(12)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyLSKYXLQGPQTLPW-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.25
Rot. Bonds2

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

2-amino-N-(4-bromo-2-chlorophenyl)-3-methylbenzamide (PubChem CID 43347143) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 2-amino-N-(4-bromo-2-chlorophenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(4-bromo-2-chlorophenyl)-3-methylbenzamide
PubChem CID43347143
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name2-amino-N-(4-bromo-2-chlorophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(Br)cc2Cl)c1N
InChIInChI=1S/C14H12BrClN2O/c1-8-3-2-4-10(13(8)17)14(19)18-12-6-5-9(15)7-11(12)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyLSKYXLQGPQTLPW-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

2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide
CID 43805804
2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725699
[2-(4-bromo-2-chloroanilino)-2-oxoethyl] 2-amino-3-methylbenzoate
CID 55481629
5-amino-N-(4-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102704991
2-amino-N-(4-bromo-2-chlorophenyl)-5-methylbenzamide
CID 62509847
5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347151
N-(4-amino-2-chlorophenyl)-2,3-dimethylbenzamide
CID 16788699
4-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347149
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
2-amino-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 65468476
2-(2-amino-3-methylphenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide
CID 79130949
N-(4-bromo-2-chlorophenyl)-2-methyl-3-nitrobenzamide
CID 17311397

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromo-2-chlorophenyl)-3-methylbenzamide?
The IUPAC name of 2-amino-N-(4-bromo-2-chlorophenyl)-3-methylbenzamide (CID 43347143) is 2-amino-N-(4-bromo-2-chlorophenyl)-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-(4-bromo-2-chlorophenyl)-3-methylbenzamide?
The canonical SMILES for 2-amino-N-(4-bromo-2-chlorophenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(Br)cc2Cl)c1N.
What is the InChIKey of 2-amino-N-(4-bromo-2-chlorophenyl)-3-methylbenzamide?
The InChIKey is LSKYXLQGPQTLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-8-3-2-4-10(13(8)17)14(19)18-12-6-5-9(15)7-11(12)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-(4-bromo-2-chlorophenyl)-3-methylbenzamide?
2-amino-N-(4-bromo-2-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 2-amino-N-(4-bromo-2-chlorophenyl)-3-methylbenzamide is sourced from PubChem (CID 43347143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).