2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide

C15H10BrFN2O — CID 81004502

IUPAC2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(F)c(C#N)c2)c1
InChIInChI=1S/C15H10BrFN2O/c1-9-2-4-13(16)12(6-9)15(20)19-11-3-5-14(17)10(7-11)8-18/h2-7H,1H3,(H,19,20)
InChIKeyUZSHFNLHSSEUNN-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.02
Rot. Bonds2

About 2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide

2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide (PubChem CID 81004502) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide
PubChem CID81004502
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)Nc2ccc(F)c(C#N)c2)c1
InChIInChI=1S/C15H10BrFN2O/c1-9-2-4-13(16)12(6-9)15(20)19-11-3-5-14(17)10(7-11)8-18/h2-7H,1H3,(H,19,20)
InChIKeyUZSHFNLHSSEUNN-UHFFFAOYSA-N
XLogP4.02
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-3-cyanophenyl)-2-fluoro-5-methylbenzamide
CID 62510457
2-bromo-N-(3-carbamoyl-4-fluorophenyl)-5-methylbenzamide
CID 80973481
3-bromo-N-(3-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 103707295
N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 115745574
N-(3-cyano-4-fluorophenyl)-2,4,6-trimethylbenzamide
CID 62315615
N-(3-amino-4-bromophenyl)-2-fluoro-5-methylbenzamide
CID 79767809
5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide
CID 62318012
2-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)-5-methylbenzamide
CID 81008344
2-bromo-N-(3,4-dicyanophenyl)-5-sulfanylbenzamide
CID 107794539
N-(3-cyano-4-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343561
4-chloro-N-(3-cyano-4-fluorophenyl)-2-hydroxybenzamide
CID 62316486
2-bromo-N-(4-iodophenyl)-5-methylbenzamide
CID 81109566

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide?
The IUPAC name of 2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide (CID 81004502) is 2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide is Cc1ccc(Br)c(C(=O)Nc2ccc(F)c(C#N)c2)c1.
What is the InChIKey of 2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide?
The InChIKey is UZSHFNLHSSEUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c1-9-2-4-13(16)12(6-9)15(20)19-11-3-5-14(17)10(7-11)8-18/h2-7H,1H3,(H,19,20).
What are the key properties of 2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide?
2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide has a molecular weight of 333.16 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-cyano-4-fluorophenyl)-5-methylbenzamide is sourced from PubChem (CID 81004502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).