2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide

C17H18BrClN2O — CID 8916135

IUPAC2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
SMILESCN(C)[C@@H](CNC(=O)c1ccccc1Br)c1ccccc1Cl
InChIInChI=1S/C17H18BrClN2O/c1-21(2)16(13-8-4-6-10-15(13)19)11-20-17(22)12-7-3-5-9-14(12)18/h3-10,16H,11H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyIVRUOSCXZDRKPT-INIZCTEOSA-N
MW381.70 g/mol
LogP4.14
Rot. Bonds5

About 2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide

2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide (PubChem CID 8916135) has the molecular formula C17H18BrClN2O and a molecular weight of 381.70 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
PubChem CID8916135
Molecular FormulaC17H18BrClN2O
Molecular Weight381.70 g/mol
Exact Mass380.03
IUPAC Name2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
SMILESCN(C)[C@@H](CNC(=O)c1ccccc1Br)c1ccccc1Cl
InChIInChI=1S/C17H18BrClN2O/c1-21(2)16(13-8-4-6-10-15(13)19)11-20-17(22)12-7-3-5-9-14(12)18/h3-10,16H,11H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyIVRUOSCXZDRKPT-INIZCTEOSA-N
XLogP4.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.70
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-hydroxybenzamide
CID 51866833
2-bromo-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 112503708
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-hydroxy-3-methoxybenzamide
CID 112772394
2,3-dichloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 55350129
2-bromo-N-[2-(dimethylamino)propyl]benzamide
CID 60748459
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 24638739
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methyl-3-nitrobenzamide
CID 42910730
2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 8504392
4-bromo-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564381
5-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 42910726
2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 16931182
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylpyrazine-2-carboxamide
CID 30478238

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide (CID 8916135) is 2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide is CN(C)[C@@H](CNC(=O)c1ccccc1Br)c1ccccc1Cl.
What is the InChIKey of 2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide?
The InChIKey is IVRUOSCXZDRKPT-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18BrClN2O/c1-21(2)16(13-8-4-6-10-15(13)19)11-20-17(22)12-7-3-5-9-14(12)18/h3-10,16H,11H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of 2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide?
2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide has a molecular weight of 381.70 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 8916135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).