4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide

C15H11BrF3NO — CID 60728865

IUPAC4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C15H11BrF3NO/c1-20(8-9-2-5-12(17)14(19)6-9)15(21)11-4-3-10(16)7-13(11)18/h2-7H,8H2,1H3
InChIKeyNMPDPNSKVLYZNF-UHFFFAOYSA-N
MW358.16 g/mol
LogP4.14
Rot. Bonds3

About 4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide

4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide (PubChem CID 60728865) has the molecular formula C15H11BrF3NO and a molecular weight of 358.16 g/mol. Its IUPAC name is 4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide
PubChem CID60728865
Molecular FormulaC15H11BrF3NO
Molecular Weight358.16 g/mol
Exact Mass357.00
IUPAC Name4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(Br)cc1F
InChIInChI=1S/C15H11BrF3NO/c1-20(8-9-2-5-12(17)14(19)6-9)15(21)11-4-3-10(16)7-13(11)18/h2-7H,8H2,1H3
InChIKeyNMPDPNSKVLYZNF-UHFFFAOYSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.16
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43401146
N-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79770462
4-bromo-2-fluoro-N-methyl-N-propylbenzamide
CID 43271494
5-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60729547
5-bromo-N-[(3,4-difluorophenyl)methyl]-N,4-dimethylthiophene-2-carboxamide
CID 79930066
methyl 4-[[(5-bromo-2-fluorobenzoyl)-methylamino]methyl]benzoate
CID 37412583
4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036891
4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 63940212
4-bromo-N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 60956172
6-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 66464077
4-bromo-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47120153
N-benzyl-4-chloro-2-fluoro-N-methylbenzamide
CID 94370486

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of 4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide (CID 60728865) is 4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide is CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide?
The InChIKey is NMPDPNSKVLYZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3NO/c1-20(8-9-2-5-12(17)14(19)6-9)15(21)11-4-3-10(16)7-13(11)18/h2-7H,8H2,1H3.
What are the key properties of 4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide?
4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide has a molecular weight of 358.16 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3,4-difluorophenyl)methyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 60728865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).