4-bromo-N-[2-(dimethylamino)phenyl]benzamide

C15H15BrN2O — CID 30875552

IUPAC4-bromo-N-[2-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1ccccc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O/c1-18(2)14-6-4-3-5-13(14)17-15(19)11-7-9-12(16)10-8-11/h3-10H,1-2H3,(H,17,19)
InChIKeyJYTJCDCSQCIOHL-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.77
Rot. Bonds3

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

4-bromo-N-[2-(dimethylamino)phenyl]benzamide (PubChem CID 30875552) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 4-bromo-N-[2-(dimethylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(dimethylamino)phenyl]benzamide
PubChem CID30875552
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name4-bromo-N-[2-(dimethylamino)phenyl]benzamide
SMILESCN(C)c1ccccc1NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O/c1-18(2)14-6-4-3-5-13(14)17-15(19)11-7-9-12(16)10-8-11/h3-10H,1-2H3,(H,17,19)
InChIKeyJYTJCDCSQCIOHL-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760608
3-bromo-5-chloro-N-[2-(dimethylamino)phenyl]benzamide
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4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 55336483
2-bromo-N-[2-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 103752344
3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760605
4-bromo-N-[2-(dimethylamino)phenyl]-2-methoxybenzamide
CID 78987938
4-bromo-N-[2-(4-bromoanilino)phenyl]benzamide
CID 70803763
4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide
CID 114315538
3-bromo-N-[2-(dimethylamino)phenyl]-2-fluorobenzamide
CID 106544738
N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 157076630
4-bromo-N-(2-nitrophenyl)benzamide
CID 139086571
4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide
CID 63526166

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(dimethylamino)phenyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(dimethylamino)phenyl]benzamide (CID 30875552) is 4-bromo-N-[2-(dimethylamino)phenyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(dimethylamino)phenyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(dimethylamino)phenyl]benzamide is CN(C)c1ccccc1NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(dimethylamino)phenyl]benzamide?
The InChIKey is JYTJCDCSQCIOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-18(2)14-6-4-3-5-13(14)17-15(19)11-7-9-12(16)10-8-11/h3-10H,1-2H3,(H,17,19).
What are the key properties of 4-bromo-N-[2-(dimethylamino)phenyl]benzamide?
4-bromo-N-[2-(dimethylamino)phenyl]benzamide has a molecular weight of 319.20 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(dimethylamino)phenyl]benzamide is sourced from PubChem (CID 30875552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).