4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide

C15H15BrN2O2 — CID 81424344

IUPAC4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(CN)cc2)ccc1Br
InChIInChI=1S/C15H15BrN2O2/c1-20-14-8-12(6-7-13(14)16)18-15(19)11-4-2-10(9-17)3-5-11/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyQKKOSSYLHXTMRB-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.17
Rot. Bonds4

About 4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide

4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide (PubChem CID 81424344) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide
PubChem CID81424344
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(CN)cc2)ccc1Br
InChIInChI=1S/C15H15BrN2O2/c1-20-14-8-12(6-7-13(14)16)18-15(19)11-4-2-10(9-17)3-5-11/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyQKKOSSYLHXTMRB-UHFFFAOYSA-N
XLogP3.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 107980534
3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 79421204
4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide
CID 82867341
4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide
CID 82859976
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
3-amino-N-(4-bromo-3-methoxyphenyl)-5-methoxybenzamide
CID 82858988
4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide
CID 119265999
1-N-(3,4-dimethoxyphenyl)-4-N-hydroxybenzene-1,4-dicarboxamide
CID 126493303
N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 82860502
chloromethyl N-(4-bromo-3-methoxyphenyl)carbamate
CID 164652567
3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119724763

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide (CID 81424344) is 4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide is COc1cc(NC(=O)c2ccc(CN)cc2)ccc1Br.
What is the InChIKey of 4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide?
The InChIKey is QKKOSSYLHXTMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-20-14-8-12(6-7-13(14)16)18-15(19)11-4-2-10(9-17)3-5-11/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide?
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide has a molecular weight of 335.20 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide is sourced from PubChem (CID 81424344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).