3-bromo-5-chloro-N-[2-(dimethylamino)phenyl]benzamide

C15H14BrClN2O — CID 107951985

IUPAC3-bromo-5-chloro-N-[2-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1ccccc1NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H14BrClN2O/c1-19(2)14-6-4-3-5-13(14)18-15(20)10-7-11(16)9-12(17)8-10/h3-9H,1-2H3,(H,18,20)
InChIKeyMHSVBPIBORLAFR-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.42
Rot. Bonds3

About 3-bromo-5-chloro-N-[2-(dimethylamino)phenyl]benzamide

3-bromo-5-chloro-N-[2-(dimethylamino)phenyl]benzamide (PubChem CID 107951985) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[2-(dimethylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[2-(dimethylamino)phenyl]benzamide
PubChem CID107951985
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name3-bromo-5-chloro-N-[2-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1ccccc1NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H14BrClN2O/c1-19(2)14-6-4-3-5-13(14)18-15(20)10-7-11(16)9-12(17)8-10/h3-9H,1-2H3,(H,18,20)
InChIKeyMHSVBPIBORLAFR-UHFFFAOYSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[2-(dimethylamino)phenyl]benzamide
CID 30875552
3-bromo-5-chloro-N-(2,3-dichlorophenyl)benzamide
CID 107951523
3-bromo-5-chloro-N-(2-nitrophenyl)benzamide
CID 107951960
3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
CID 107980200
2,5-dichloro-N-[2-(dimethylamino)phenyl]benzamide
CID 30886701
2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 103752344
3-bromo-N-(5-bromo-2-chlorophenyl)-5-chlorobenzamide
CID 107939178
4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 55336483
4-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760608
3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760605
4-chloro-N-[2-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 47166032
3-bromo-5-chloro-N-(2-fluoro-5-methylphenyl)benzamide
CID 107951534

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[2-(dimethylamino)phenyl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[2-(dimethylamino)phenyl]benzamide (CID 107951985) is 3-bromo-5-chloro-N-[2-(dimethylamino)phenyl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[2-(dimethylamino)phenyl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[2-(dimethylamino)phenyl]benzamide is CN(C)c1ccccc1NC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[2-(dimethylamino)phenyl]benzamide?
The InChIKey is MHSVBPIBORLAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-19(2)14-6-4-3-5-13(14)18-15(20)10-7-11(16)9-12(17)8-10/h3-9H,1-2H3,(H,18,20).
What are the key properties of 3-bromo-5-chloro-N-[2-(dimethylamino)phenyl]benzamide?
3-bromo-5-chloro-N-[2-(dimethylamino)phenyl]benzamide has a molecular weight of 353.65 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[2-(dimethylamino)phenyl]benzamide is sourced from PubChem (CID 107951985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).