2-[(4-bromo-2,6-dimethylanilino)methyl]benzamide

C16H17BrN2O — CID 28596653

IUPAC2-[(4-bromo-2,6-dimethylanilino)methyl]benzamide
SMILESCc1cc(Br)cc(C)c1NCc1ccccc1C(N)=O
InChIInChI=1S/C16H17BrN2O/c1-10-7-13(17)8-11(2)15(10)19-9-12-5-3-4-6-14(12)16(18)20/h3-8,19H,9H2,1-2H3,(H2,18,20)
InChIKeyRNMDTFLMTPRPBI-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.78
Rot. Bonds4

About 2-[(4-bromo-2,6-dimethylanilino)methyl]benzamide

2-[(4-bromo-2,6-dimethylanilino)methyl]benzamide (PubChem CID 28596653) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-[(4-bromo-2,6-dimethylanilino)methyl]benzamide.

Molecular Properties

Compound Name2-[(4-bromo-2,6-dimethylanilino)methyl]benzamide
PubChem CID28596653
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-[(4-bromo-2,6-dimethylanilino)methyl]benzamide
SMILESCc1cc(Br)cc(C)c1NCc1ccccc1C(N)=O
InChIInChI=1S/C16H17BrN2O/c1-10-7-13(17)8-11(2)15(10)19-9-12-5-3-4-6-14(12)16(18)20/h3-8,19H,9H2,1-2H3,(H2,18,20)
InChIKeyRNMDTFLMTPRPBI-UHFFFAOYSA-N
XLogP3.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4,6-tribromoanilino)methyl]benzamide
CID 28992052
2-[(4-bromo-2-methylanilino)methyl]benzamide
CID 28572427
2-[(2-bromo-4,6-difluoroanilino)methyl]benzamide
CID 43347758
4-bromo-2,6-dimethyl-N-[(2-nitrophenyl)methyl]aniline
CID 28596634
2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide
CID 103413096
2-[(5-cyano-2-methylanilino)methyl]benzamide
CID 62103575
2-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815579
3-[(4-bromo-2,6-dimethylanilino)methyl]furan-2-carboxylic acid
CID 103235408
2-[(3-bromo-5-methylanilino)methyl]benzoic acid
CID 107584215
2-[(3,4,5-trifluoroanilino)methyl]benzamide
CID 62809921
2-[(4-chloroanilino)methyl]benzamide
CID 28580780
3-methyl-2-[(2-methylphenyl)methylamino]benzenecarbothioamide
CID 107107914

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2,6-dimethylanilino)methyl]benzamide?
The IUPAC name of 2-[(4-bromo-2,6-dimethylanilino)methyl]benzamide (CID 28596653) is 2-[(4-bromo-2,6-dimethylanilino)methyl]benzamide.
What is the SMILES notation for 2-[(4-bromo-2,6-dimethylanilino)methyl]benzamide?
The canonical SMILES for 2-[(4-bromo-2,6-dimethylanilino)methyl]benzamide is Cc1cc(Br)cc(C)c1NCc1ccccc1C(N)=O.
What is the InChIKey of 2-[(4-bromo-2,6-dimethylanilino)methyl]benzamide?
The InChIKey is RNMDTFLMTPRPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-10-7-13(17)8-11(2)15(10)19-9-12-5-3-4-6-14(12)16(18)20/h3-8,19H,9H2,1-2H3,(H2,18,20).
What are the key properties of 2-[(4-bromo-2,6-dimethylanilino)methyl]benzamide?
2-[(4-bromo-2,6-dimethylanilino)methyl]benzamide has a molecular weight of 333.23 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2,6-dimethylanilino)methyl]benzamide is sourced from PubChem (CID 28596653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).