3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide

C16H15BrFNO — CID 104851856

IUPAC3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide
SMILESCc1cc(Br)cc(C(=O)N(C)Cc2cccc(F)c2)c1
InChIInChI=1S/C16H15BrFNO/c1-11-6-13(9-14(17)7-11)16(20)19(2)10-12-4-3-5-15(18)8-12/h3-9H,10H2,1-2H3
InChIKeyFKLVBGORDUMFKL-UHFFFAOYSA-N
MW336.20 g/mol
LogP4.17
Rot. Bonds3

About 3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide

3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide (PubChem CID 104851856) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide
PubChem CID104851856
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide
SMILESCc1cc(Br)cc(C(=O)N(C)Cc2cccc(F)c2)c1
InChIInChI=1S/C16H15BrFNO/c1-11-6-13(9-14(17)7-11)16(20)19(2)10-12-4-3-5-15(18)8-12/h3-9H,10H2,1-2H3
InChIKeyFKLVBGORDUMFKL-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

N-[(3-aminophenyl)methyl]-3-bromo-N,5-dimethylbenzamide
CID 104850560
N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide
CID 103891567
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
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3-bromo-5-chloro-N-methyl-N-[(3-methylphenyl)methyl]benzamide
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3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
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3-bromo-N-[2-(3-fluorophenyl)ethyl]-5-methylbenzamide
CID 104851939
3-bromo-N,5-dimethyl-N-(2-phenylethyl)benzamide
CID 104852356
N-[(4-fluorophenyl)methyl]-N,3,5-trimethylbenzamide
CID 78771211
N-[(3-fluorophenyl)methyl]-N-methyl-1-oxidopyridin-1-ium-4-carboxamide
CID 78781868
3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 78781530
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N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-2-carboxamide
CID 26292158

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide?
The IUPAC name of 3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide (CID 104851856) is 3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide.
What is the SMILES notation for 3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide?
The canonical SMILES for 3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide is Cc1cc(Br)cc(C(=O)N(C)Cc2cccc(F)c2)c1.
What is the InChIKey of 3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide?
The InChIKey is FKLVBGORDUMFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-11-6-13(9-14(17)7-11)16(20)19(2)10-12-4-3-5-15(18)8-12/h3-9H,10H2,1-2H3.
What are the key properties of 3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide?
3-bromo-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide 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-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzamide is sourced from PubChem (CID 104851856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).