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

C15H13F2NO — CID 62510380

IUPAC2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C15H13F2NO/c1-10-6-7-14(17)12(8-10)15(19)18-9-11-4-2-3-5-13(11)16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyPTNLHVFZLLLWDO-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.20
Rot. Bonds3

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

2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide (PubChem CID 62510380) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
PubChem CID62510380
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C15H13F2NO/c1-10-6-7-14(17)12(8-10)15(19)18-9-11-4-2-3-5-13(11)16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyPTNLHVFZLLLWDO-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 79791419
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5-amino-2-fluoro-N-[(2-methylphenyl)methyl]benzamide
CID 60904088
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 110755457
N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide
CID 62514243
N-[(2-fluorophenyl)methyl]-2-methyl-5-sulfanylbenzamide
CID 107021173
N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide
CID 115598856
N-(2,6-difluorophenyl)-2-fluoro-5-methylbenzamide
CID 62508684
2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
2-fluoro-5-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide?
The IUPAC name of 2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide (CID 62510380) is 2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide is Cc1ccc(F)c(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of 2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide?
The InChIKey is PTNLHVFZLLLWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c1-10-6-7-14(17)12(8-10)15(19)18-9-11-4-2-3-5-13(11)16/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide?
2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide has a molecular weight of 261.27 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-fluorophenyl)methyl]-5-methylbenzamide is sourced from PubChem (CID 62510380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).