3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide

C15H15BrN2O — CID 115161179

IUPAC3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide
SMILESNCc1cccc(C(=O)NCc2ccccc2Br)c1
InChIInChI=1S/C15H15BrN2O/c16-14-7-2-1-5-13(14)10-18-15(19)12-6-3-4-11(8-12)9-17/h1-8H,9-10,17H2,(H,18,19)
InChIKeyHWJHGGUPMHKZKR-UHFFFAOYSA-N
MW319.20 g/mol
LogP2.84
Rot. Bonds4

About 3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide

3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide (PubChem CID 115161179) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide
PubChem CID115161179
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide
SMILESNCc1cccc(C(=O)NCc2ccccc2Br)c1
InChIInChI=1S/C15H15BrN2O/c16-14-7-2-1-5-13(14)10-18-15(19)12-6-3-4-11(8-12)9-17/h1-8H,9-10,17H2,(H,18,19)
InChIKeyHWJHGGUPMHKZKR-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]benzamide
CID 115161199
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 18070244
N-[(2-bromophenyl)methyl]-3-methylbenzamide
CID 60739134
3,5-diamino-N-[(2-bromophenyl)methyl]benzamide
CID 61401694
3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63793552
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide
CID 60739135
3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide
CID 61401723
2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349351
N-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate
CID 25062030
3-N-[[2-(aminomethyl)phenyl]methyl]benzene-1,3-dicarboxamide
CID 62949892
N-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide
CID 63211705

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide?
The IUPAC name of 3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide (CID 115161179) is 3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide?
The canonical SMILES for 3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide is NCc1cccc(C(=O)NCc2ccccc2Br)c1.
What is the InChIKey of 3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide?
The InChIKey is HWJHGGUPMHKZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c16-14-7-2-1-5-13(14)10-18-15(19)12-6-3-4-11(8-12)9-17/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of 3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide?
3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide has a molecular weight of 319.20 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide is sourced from PubChem (CID 115161179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).