N-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide

C16H17BrN2O — CID 60706338

IUPACN-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NC(C)c1ccccc1Br
InChIInChI=1S/C16H17BrN2O/c1-11(12-7-3-5-9-14(12)17)19-16(20)13-8-4-6-10-15(13)18-2/h3-11,18H,1-2H3,(H,19,20)
InChIKeyMEUHZEFWVOEYEA-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.98
Rot. Bonds4

About N-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide

N-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide (PubChem CID 60706338) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide
PubChem CID60706338
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NC(C)c1ccccc1Br
InChIInChI=1S/C16H17BrN2O/c1-11(12-7-3-5-9-14(12)17)19-16(20)13-8-4-6-10-15(13)18-2/h3-11,18H,1-2H3,(H,19,20)
InChIKeyMEUHZEFWVOEYEA-UHFFFAOYSA-N
XLogP3.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(methylamino)benzamide
CID 81379610
N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide
CID 42998565
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81390779
N-[(1R)-1-(2-bromophenyl)ethyl]-2-iodobenzamide
CID 26085546
N-[(1S)-1-(2-bromophenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 51530681
2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
CID 81110213
N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide
CID 81399463
4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 55027225
2-(methylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406697
2-amino-N-[1-(2-bromophenyl)ethyl]-5-hydroxybenzamide
CID 107074317
2-amino-4-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]benzamide
CID 81397255

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide (CID 60706338) is N-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide is CNc1ccccc1C(=O)NC(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide?
The InChIKey is MEUHZEFWVOEYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11(12-7-3-5-9-14(12)17)19-16(20)13-8-4-6-10-15(13)18-2/h3-11,18H,1-2H3,(H,19,20).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide?
N-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide has a molecular weight of 333.23 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2-(methylamino)benzamide is sourced from PubChem (CID 60706338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).