3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide

C15H12BrFN2O2 — CID 60786943

IUPAC3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1ccccc1Br
InChIInChI=1S/C15H12BrFN2O2/c1-8-12(17)6-9(14(18)20)7-13(8)19-15(21)10-4-2-3-5-11(10)16/h2-7H,1H3,(H2,18,20)(H,19,21)
InChIKeyBRTNMNHYYQHDMS-UHFFFAOYSA-N
MW351.18 g/mol
LogP3.25
Rot. Bonds3

About 3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide

3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide (PubChem CID 60786943) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is 3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide
PubChem CID60786943
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1ccccc1Br
InChIInChI=1S/C15H12BrFN2O2/c1-8-12(17)6-9(14(18)20)7-13(8)19-15(21)10-4-2-3-5-11(10)16/h2-7H,1H3,(H2,18,20)(H,19,21)
InChIKeyBRTNMNHYYQHDMS-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

3-fluoro-5-[(3-fluorobenzoyl)amino]-4-methylbenzamide
CID 86992287
5-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)furan-2-carboxamide
CID 47244153
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-4-chloropyridine-3-carboxamide
CID 81227752
2-bromo-N-(5-fluoro-2-methylphenyl)benzamide
CID 2683675
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107362899
3-bromo-N-(4-carbamoyl-2-methylphenyl)-2-fluorobenzamide
CID 106544246
2-bromo-N-(2-fluoro-3-methylphenyl)benzamide
CID 113351864
2-[(2-bromobenzoyl)amino]-N-(4-carbamoylphenyl)benzamide
CID 78791778
N-(3-bromo-2-methylphenyl)-2-fluorobenzamide
CID 66606524
6-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1H-indole-2-carboxamide
CID 87045715
3-bromo-2-fluoro-N-(3-fluoro-2-methylphenyl)benzamide
CID 106544652
2-bromo-N-(2-carbamothioyl-4-fluorophenyl)benzamide
CID 82015339

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide (CID 60786943) is 3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide is Cc1c(F)cc(C(N)=O)cc1NC(=O)c1ccccc1Br.
What is the InChIKey of 3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide?
The InChIKey is BRTNMNHYYQHDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c1-8-12(17)6-9(14(18)20)7-13(8)19-15(21)10-4-2-3-5-11(10)16/h2-7H,1H3,(H2,18,20)(H,19,21).
What are the key properties of 3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide?
3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide 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 3-[(2-bromobenzoyl)amino]-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 60786943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).