N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide

C14H11Br2ClN2O — CID 107997661

IUPACN-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2ccc(Cl)c(Br)c2)cc1N
InChIInChI=1S/C14H11Br2ClN2O/c1-7-4-10(16)13(6-12(7)18)19-14(20)8-2-3-11(17)9(15)5-8/h2-6H,18H2,1H3,(H,19,20)
InChIKeyJAECUAHBAYMSBK-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.01
Rot. Bonds2

About N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide

N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide (PubChem CID 107997661) has the molecular formula C14H11Br2ClN2O and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide.

Molecular Properties

Compound NameN-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide
PubChem CID107997661
Molecular FormulaC14H11Br2ClN2O
Molecular Weight418.52 g/mol
Exact Mass415.89
IUPAC NameN-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide
SMILESCc1cc(Br)c(NC(=O)c2ccc(Cl)c(Br)c2)cc1N
InChIInChI=1S/C14H11Br2ClN2O/c1-7-4-10(16)13(6-12(7)18)19-14(20)8-2-3-11(17)9(15)5-8/h2-6H,18H2,1H3,(H,19,20)
InChIKeyJAECUAHBAYMSBK-UHFFFAOYSA-N
XLogP5.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.01
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-(5-amino-2-bromo-4-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 104814446
N-(3-amino-2-methylphenyl)-3-bromo-4-chlorobenzamide
CID 107997499
N-(5-amino-2-bromo-4-methylphenyl)-2-chloro-5-hydroxybenzamide
CID 106500146
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide
CID 104814581
3-bromo-4-chloro-N-(2,3-dimethylphenyl)benzamide
CID 107999224
4-[(3-bromo-4-chlorobenzoyl)amino]-3-methylbenzoic acid
CID 107997716
N-(5-amino-2,4-dimethylphenyl)-3-chloro-4-methylbenzamide
CID 104756900
N-(2-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide
CID 107997479
4-amino-N-(2-bromo-5-chlorophenyl)-3-methylbenzamide
CID 81262936
N-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide
CID 113456213
N-(2-bromo-5-chloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
CID 104725197
3-bromo-4-chloro-N-(2,4,6-trimethylphenyl)benzamide
CID 107999165

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide?
The IUPAC name of N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide (CID 107997661) is N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide.
What is the SMILES notation for N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide?
The canonical SMILES for N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide is Cc1cc(Br)c(NC(=O)c2ccc(Cl)c(Br)c2)cc1N.
What is the InChIKey of N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide?
The InChIKey is JAECUAHBAYMSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClN2O/c1-7-4-10(16)13(6-12(7)18)19-14(20)8-2-3-11(17)9(15)5-8/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide?
N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide has a molecular weight of 418.52 g/mol, XLogP of 5.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide is sourced from PubChem (CID 107997661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).