3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide

C16H15BrFNO — CID 103706723

IUPAC3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CN(C)C(=O)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C16H15BrFNO/c1-11-4-3-5-12(8-11)10-19(2)16(20)13-6-7-15(18)14(17)9-13/h3-9H,10H2,1-2H3
InChIKeyFZFOGZQWNRVGTK-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.17
Rot. Bonds3

About 3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide

3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 103706723) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
PubChem CID103706723
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CN(C)C(=O)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C16H15BrFNO/c1-11-4-3-5-12(8-11)10-19(2)16(20)13-6-7-15(18)14(17)9-13/h3-9H,10H2,1-2H3
InChIKeyFZFOGZQWNRVGTK-UHFFFAOYSA-N
XLogP4.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4-methoxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 60737430
4-amino-3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 62682971
3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide
CID 113244776
3-bromo-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 103706385
3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 107952081
3-hydroxy-4-iodo-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 104627629
3-bromo-4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 107999288
4-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62682042
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
2-fluoro-4-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 104928615
3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 104851856
N-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79770462

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide (CID 103706723) is 3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide is Cc1cccc(CN(C)C(=O)c2ccc(F)c(Br)c2)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is FZFOGZQWNRVGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-11-4-3-5-12(8-11)10-19(2)16(20)13-6-7-15(18)14(17)9-13/h3-9H,10H2,1-2H3.
What are the key properties of 3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide?
3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 336.20 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-methyl-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 103706723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).