N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide

C16H17BrN2O2 — CID 62952153

IUPACN-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2CN)cc1Br
InChIInChI=1S/C16H17BrN2O2/c1-21-15-7-6-11(8-14(15)17)16(20)19-10-13-5-3-2-4-12(13)9-18/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyNPUXHUUCTVQXBS-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.85
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide

N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide (PubChem CID 62952153) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide
PubChem CID62952153
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2CN)cc1Br
InChIInChI=1S/C16H17BrN2O2/c1-21-15-7-6-11(8-14(15)17)16(20)19-10-13-5-3-2-4-12(13)9-18/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyNPUXHUUCTVQXBS-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide
CID 61401758
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide
CID 63372843
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
4-bromo-3-hydroxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 103830352
3-bromo-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 27259778
3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 935458
N-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide
CID 62951377
N-[2-(2-amino-2-oxoethyl)phenyl]-3-bromo-4-methoxybenzamide
CID 47037283
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-sulfamoylbenzamide
CID 36717267
N-[(3-bromo-4-methoxyphenyl)methyl]benzamide
CID 72547442

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide (CID 62952153) is N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccccc2CN)cc1Br.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide?
The InChIKey is NPUXHUUCTVQXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-21-15-7-6-11(8-14(15)17)16(20)19-10-13-5-3-2-4-12(13)9-18/h2-8H,9-10,18H2,1H3,(H,19,20).
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide?
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide has a molecular weight of 349.23 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide is sourced from PubChem (CID 62952153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).