4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide

C15H14BrClN2O — CID 104723637

IUPAC4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide
SMILESCc1cc(Br)c(NC(=O)c2ccc(CN)cc2)cc1Cl
InChIInChI=1S/C15H14BrClN2O/c1-9-6-12(16)14(7-13(9)17)19-15(20)11-4-2-10(8-18)3-5-11/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyFDTGNRMKGBOLFU-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.12
Rot. Bonds3

About 4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide

4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide (PubChem CID 104723637) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide
PubChem CID104723637
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide
SMILESCc1cc(Br)c(NC(=O)c2ccc(CN)cc2)cc1Cl
InChIInChI=1S/C15H14BrClN2O/c1-9-6-12(16)14(7-13(9)17)19-15(20)11-4-2-10(8-18)3-5-11/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyFDTGNRMKGBOLFU-UHFFFAOYSA-N
XLogP4.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857
N-(2-bromo-5-chloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
CID 104725197
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide
CID 104723980
N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide
CID 104724099
4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide
CID 115161218
N-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide
CID 91687295
4-bromo-N-(2,5-dichloro-4-methylphenyl)benzamide
CID 113445906
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 104724066
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 104724000
4-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)benzamide
CID 28993465
N-(2-bromo-5-chloro-4-methylphenyl)-3-cyanobenzamide
CID 104723758
N-(5-amino-2-bromo-4-methylphenyl)-3-bromo-4-chlorobenzamide
CID 107997661

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide (CID 104723637) is 4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide is Cc1cc(Br)c(NC(=O)c2ccc(CN)cc2)cc1Cl.
What is the InChIKey of 4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide?
The InChIKey is FDTGNRMKGBOLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-9-6-12(16)14(7-13(9)17)19-15(20)11-4-2-10(8-18)3-5-11/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of 4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide?
4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide has a molecular weight of 353.65 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide is sourced from PubChem (CID 104723637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).