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

C16H17BrN2O — CID 115161199

IUPAC3-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]benzamide
SMILESNCc1cccc(C(=O)NCCc2ccccc2Br)c1
InChIInChI=1S/C16H17BrN2O/c17-15-7-2-1-5-13(15)8-9-19-16(20)14-6-3-4-12(10-14)11-18/h1-7,10H,8-9,11,18H2,(H,19,20)
InChIKeyLUOQCBKMEWBARI-UHFFFAOYSA-N
MW333.23 g/mol
LogP2.88
Rot. Bonds5

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

3-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]benzamide (PubChem CID 115161199) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]benzamide
PubChem CID115161199
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name3-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]benzamide
SMILESNCc1cccc(C(=O)NCCc2ccccc2Br)c1
InChIInChI=1S/C16H17BrN2O/c17-15-7-2-1-5-13(15)8-9-19-16(20)14-6-3-4-12(10-14)11-18/h1-7,10H,8-9,11,18H2,(H,19,20)
InChIKeyLUOQCBKMEWBARI-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide
CID 115161179
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 18070244
5-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]pyridine-2-carboxamide
CID 115116754
3-(aminomethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 60895534
3-(aminomethyl)-N-[2-(1H-pyrrol-3-yl)ethyl]benzamide
CID 115161194
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
3-(aminomethyl)-N-(3-formamidopropyl)benzamide
CID 82547191
3-(2-aminoethyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 62592960
N-[2-(3-bromophenyl)ethyl]benzamide
CID 90847047
3-(methoxymethyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115342
2-(2-bromophenyl)-N-(2-phenylethyl)acetamide
CID 86025438
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]benzamide?
The IUPAC name of 3-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]benzamide (CID 115161199) is 3-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]benzamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]benzamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]benzamide is NCc1cccc(C(=O)NCCc2ccccc2Br)c1.
What is the InChIKey of 3-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]benzamide?
The InChIKey is LUOQCBKMEWBARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c17-15-7-2-1-5-13(15)8-9-19-16(20)14-6-3-4-12(10-14)11-18/h1-7,10H,8-9,11,18H2,(H,19,20).
What are the key properties of 3-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]benzamide?
3-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]benzamide has a molecular weight of 333.23 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-(2-bromophenyl)ethyl]benzamide is sourced from PubChem (CID 115161199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).