N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide

C17H16BrClN2O2 — CID 31215623

IUPACN-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide
SMILESCN(Cc1ccccc1Br)C(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H16BrClN2O2/c1-21(11-13-5-2-3-8-15(13)18)16(22)10-20-17(23)12-6-4-7-14(19)9-12/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyQLTQEITVWVEUMM-UHFFFAOYSA-N
MW395.68 g/mol
LogP3.49
Rot. Bonds5

About N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide

N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide (PubChem CID 31215623) has the molecular formula C17H16BrClN2O2 and a molecular weight of 395.68 g/mol. Its IUPAC name is N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide
PubChem CID31215623
Molecular FormulaC17H16BrClN2O2
Molecular Weight395.68 g/mol
Exact Mass394.01
IUPAC NameN-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide
SMILESCN(Cc1ccccc1Br)C(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H16BrClN2O2/c1-21(11-13-5-2-3-8-15(13)18)16(22)10-20-17(23)12-6-4-7-14(19)9-12/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyQLTQEITVWVEUMM-UHFFFAOYSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.68
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-nitrobenzamide
CID 31215613
3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 41437401
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-4-fluorobenzamide
CID 31215861
N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide
CID 78800713
3-fluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 30905036
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 31215629
N-[2-[(5-bromo-2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78852071
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 31215607
N-[2-[(2,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-3-nitrobenzamide
CID 9417663
N-[(2-bromophenyl)methyl]-2-(2-chloroanilino)-N-methylacetamide
CID 55365341
N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641092
3-chloro-N-[2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-2-oxoethyl]benzamide
CID 31670964

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide?
The IUPAC name of N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide (CID 31215623) is N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide.
What is the SMILES notation for N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide?
The canonical SMILES for N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide is CN(Cc1ccccc1Br)C(=O)CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide?
The InChIKey is QLTQEITVWVEUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O2/c1-21(11-13-5-2-3-8-15(13)18)16(22)10-20-17(23)12-6-4-7-14(19)9-12/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide?
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide has a molecular weight of 395.68 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide is sourced from PubChem (CID 31215623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).