2-bromo-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]benzamide

C17H18BrClN2O — CID 112503708

IUPAC2-bromo-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
SMILESCN(C)C(CNC(=O)c1ccccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C17H18BrClN2O/c1-21(2)16(12-7-9-13(19)10-8-12)11-20-17(22)14-5-3-4-6-15(14)18/h3-10,16H,11H2,1-2H3,(H,20,22)
InChIKeyVTJQBPUUVORSMI-UHFFFAOYSA-N
MW381.70 g/mol
LogP4.14
Rot. Bonds5

About 2-bromo-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]benzamide

2-bromo-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]benzamide (PubChem CID 112503708) has the molecular formula C17H18BrClN2O and a molecular weight of 381.70 g/mol. Its IUPAC name is 2-bromo-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
PubChem CID112503708
Molecular FormulaC17H18BrClN2O
Molecular Weight381.70 g/mol
Exact Mass380.03
IUPAC Name2-bromo-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
SMILESCN(C)C(CNC(=O)c1ccccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C17H18BrClN2O/c1-21(2)16(12-7-9-13(19)10-8-12)11-20-17(22)14-5-3-4-6-15(14)18/h3-10,16H,11H2,1-2H3,(H,20,22)
InChIKeyVTJQBPUUVORSMI-UHFFFAOYSA-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

2-bromo-N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 8916135
2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 16931182
2-bromo-N-[2-(dimethylamino)propyl]benzamide
CID 60748459
2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 8795965
2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 8504392
2,4-dichloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 27230027
N-[2-(4-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide
CID 112503768
2-bromo-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]benzamide
CID 66993402
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4675953
3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460305
2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 78849646
2,3-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]benzamide
CID 4882899

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]benzamide (CID 112503708) is 2-bromo-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]benzamide is CN(C)C(CNC(=O)c1ccccc1Br)c1ccc(Cl)cc1.
What is the InChIKey of 2-bromo-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]benzamide?
The InChIKey is VTJQBPUUVORSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O/c1-21(2)16(12-7-9-13(19)10-8-12)11-20-17(22)14-5-3-4-6-15(14)18/h3-10,16H,11H2,1-2H3,(H,20,22).
What are the key properties of 2-bromo-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]benzamide?
2-bromo-N-[2-(4-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-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 112503708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).