2-bromo-N-(4-carbamoyl-2-methylphenyl)-6-fluorobenzamide

C15H12BrFN2O2 — CID 115678377

IUPAC2-bromo-N-(4-carbamoyl-2-methylphenyl)-6-fluorobenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)c1c(F)cccc1Br
InChIInChI=1S/C15H12BrFN2O2/c1-8-7-9(14(18)20)5-6-12(8)19-15(21)13-10(16)3-2-4-11(13)17/h2-7H,1H3,(H2,18,20)(H,19,21)
InChIKeyHEXNITSYWJQDKR-UHFFFAOYSA-N
MW351.18 g/mol
LogP3.25
Rot. Bonds3

About 2-bromo-N-(4-carbamoyl-2-methylphenyl)-6-fluorobenzamide

2-bromo-N-(4-carbamoyl-2-methylphenyl)-6-fluorobenzamide (PubChem CID 115678377) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is 2-bromo-N-(4-carbamoyl-2-methylphenyl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(4-carbamoyl-2-methylphenyl)-6-fluorobenzamide
PubChem CID115678377
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name2-bromo-N-(4-carbamoyl-2-methylphenyl)-6-fluorobenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)c1c(F)cccc1Br
InChIInChI=1S/C15H12BrFN2O2/c1-8-7-9(14(18)20)5-6-12(8)19-15(21)13-10(16)3-2-4-11(13)17/h2-7H,1H3,(H2,18,20)(H,19,21)
InChIKeyHEXNITSYWJQDKR-UHFFFAOYSA-N
XLogP3.25
TPSA72.19 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 ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(2,4-dimethylphenyl)-6-fluorobenzamide
CID 113250689
3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide
CID 106544246
2-bromo-N-(4-carbamothioyl-2-fluorophenyl)-6-fluorobenzamide
CID 114559284
2-bromo-6-fluoro-N-(5-fluoro-2-methylphenyl)benzamide
CID 115678106
N-(2-amino-4-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 114558352
2-bromo-N-(2-chloro-4-methylphenyl)-6-fluorobenzamide
CID 115678082
4-amino-N-(4-carbamoyl-2-methylphenyl)-3-fluorobenzamide
CID 63188246
4-[(2-bromo-6-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 114558539
2-bromo-N-(2-carbamothioyl-4-fluorophenyl)-6-fluorobenzamide
CID 114559285
N-(5-amino-2-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 115736640
4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide
CID 43706640
N-(2-bromo-4-methylphenyl)-2,6-difluorobenzamide
CID 24689737

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-carbamoyl-2-methylphenyl)-6-fluorobenzamide?
The IUPAC name of 2-bromo-N-(4-carbamoyl-2-methylphenyl)-6-fluorobenzamide (CID 115678377) is 2-bromo-N-(4-carbamoyl-2-methylphenyl)-6-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(4-carbamoyl-2-methylphenyl)-6-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(4-carbamoyl-2-methylphenyl)-6-fluorobenzamide is Cc1cc(C(N)=O)ccc1NC(=O)c1c(F)cccc1Br.
What is the InChIKey of 2-bromo-N-(4-carbamoyl-2-methylphenyl)-6-fluorobenzamide?
The InChIKey is HEXNITSYWJQDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c1-8-7-9(14(18)20)5-6-12(8)19-15(21)13-10(16)3-2-4-11(13)17/h2-7H,1H3,(H2,18,20)(H,19,21).
What are the key properties of 2-bromo-N-(4-carbamoyl-2-methylphenyl)-6-fluorobenzamide?
2-bromo-N-(4-carbamoyl-2-methylphenyl)-6-fluorobenzamide has a molecular weight of 351.18 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-carbamoyl-2-methylphenyl)-6-fluorobenzamide is sourced from PubChem (CID 115678377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).