N-[(2-bromophenyl)methyl]-5-fluoro-2-methylbenzamide

C15H13BrFNO — CID 55025566

IUPACN-[(2-bromophenyl)methyl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NCc1ccccc1Br
InChIInChI=1S/C15H13BrFNO/c1-10-6-7-12(17)8-13(10)15(19)18-9-11-4-2-3-5-14(11)16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyYTVSJTWLJARENG-UHFFFAOYSA-N
MW322.18 g/mol
LogP3.83
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-5-fluoro-2-methylbenzamide

N-[(2-bromophenyl)methyl]-5-fluoro-2-methylbenzamide (PubChem CID 55025566) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-5-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-5-fluoro-2-methylbenzamide
PubChem CID55025566
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC NameN-[(2-bromophenyl)methyl]-5-fluoro-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)NCc1ccccc1Br
InChIInChI=1S/C15H13BrFNO/c1-10-6-7-12(17)8-13(10)15(19)18-9-11-4-2-3-5-14(11)16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyYTVSJTWLJARENG-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide
CID 115598801
2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868
N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 17173440
N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide
CID 60739135
5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 60739201
N-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107021173
N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide
CID 115598856
N-[[4-(chloromethyl)phenyl]methyl]-5-fluoro-2-methylbenzamide
CID 107233293
N-[(2-ethylphenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 115299129
N-(4-bromobutyl)-5-fluoro-2-methylbenzamide
CID 106845986
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-fluoro-2-methylbenzamide
CID 79524292

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-5-fluoro-2-methylbenzamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-5-fluoro-2-methylbenzamide (CID 55025566) is N-[(2-bromophenyl)methyl]-5-fluoro-2-methylbenzamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-5-fluoro-2-methylbenzamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-5-fluoro-2-methylbenzamide is Cc1ccc(F)cc1C(=O)NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-5-fluoro-2-methylbenzamide?
The InChIKey is YTVSJTWLJARENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO/c1-10-6-7-12(17)8-13(10)15(19)18-9-11-4-2-3-5-14(11)16/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-[(2-bromophenyl)methyl]-5-fluoro-2-methylbenzamide?
N-[(2-bromophenyl)methyl]-5-fluoro-2-methylbenzamide has a molecular weight of 322.18 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-5-fluoro-2-methylbenzamide is sourced from PubChem (CID 55025566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).