3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide

C15H12BrFN2O2 — CID 103710619

IUPAC3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1cccc(NC(=O)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C15H12BrFN2O2/c1-18-14(20)9-3-2-4-11(7-9)19-15(21)10-5-6-13(17)12(16)8-10/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyWVDHMCCHUQKZKQ-UHFFFAOYSA-N
MW351.18 g/mol
LogP3.20
Rot. Bonds3

About 3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide

3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide (PubChem CID 103710619) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide
PubChem CID103710619
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1cccc(NC(=O)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C15H12BrFN2O2/c1-18-14(20)9-3-2-4-11(7-9)19-15(21)10-5-6-13(17)12(16)8-10/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyWVDHMCCHUQKZKQ-UHFFFAOYSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[(3-bromo-4-fluorobenzoyl)amino]benzoate
CID 103706368
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3-bromo-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
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3-bromo-4-fluoro-N-(3-methylsulfonylphenyl)benzamide
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N-[3-(aminomethyl)phenyl]-3-bromo-4-fluorobenzamide
CID 103804951
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1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 58018070
N-(3-bromophenyl)-4-fluoro-3-methylbenzamide
CID 63210603
N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide
CID 115661329
N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide
CID 104779320
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
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3-bromo-N-(2,6-dimethylphenyl)-4-fluorobenzamide
CID 103714167

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide (CID 103710619) is 3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide is CNC(=O)c1cccc(NC(=O)c2ccc(F)c(Br)c2)c1.
What is the InChIKey of 3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is WVDHMCCHUQKZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c1-18-14(20)9-3-2-4-11(7-9)19-15(21)10-5-6-13(17)12(16)8-10/h2-8H,1H3,(H,18,20)(H,19,21).
What are the key properties of 3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide?
3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 351.18 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-[3-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 103710619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).