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

C14H10BrF2NO — CID 113244666

IUPAC3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H10BrF2NO/c15-12-7-10(4-5-13(12)17)14(19)18-8-9-2-1-3-11(16)6-9/h1-7H,8H2,(H,18,19)
InChIKeyVYWWCDWPQSQAHV-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.66
Rot. Bonds3

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

3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide (PubChem CID 113244666) has the molecular formula C14H10BrF2NO and a molecular weight of 326.14 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
PubChem CID113244666
Molecular FormulaC14H10BrF2NO
Molecular Weight326.14 g/mol
Exact Mass324.99
IUPAC Name3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1cccc(F)c1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H10BrF2NO/c15-12-7-10(4-5-13(12)17)14(19)18-8-9-2-1-3-11(16)6-9/h1-7H,8H2,(H,18,19)
InChIKeyVYWWCDWPQSQAHV-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[(3-carbamoylphenyl)methyl]-4-fluorobenzamide
CID 103706738
4-bromo-N-[(3-fluorophenyl)methyl]-3-hydroxybenzamide
CID 103830502
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide
CID 103707226
4-amino-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 28970018
N-[(3-fluorophenyl)methyl]-4-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 87468494
N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
CID 107022080
3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide
CID 61400953
3-bromo-N-[[4-(dimethylamino)phenyl]methyl]-4-fluorobenzamide
CID 103706462
3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706269
3-[[(3-fluorobenzoyl)amino]methyl]benzoic acid
CID 60893305
N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide
CID 107948816
N-[(3-fluorophenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103612084

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide (CID 113244666) is 3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide is O=C(NCc1cccc(F)c1)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide?
The InChIKey is VYWWCDWPQSQAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2NO/c15-12-7-10(4-5-13(12)17)14(19)18-8-9-2-1-3-11(16)6-9/h1-7H,8H2,(H,18,19).
What are the key properties of 3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide?
3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide has a molecular weight of 326.14 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 113244666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).