3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide

C15H13F2NO2 — CID 27514924

IUPAC3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2F)cc1F
InChIInChI=1S/C15H13F2NO2/c1-20-14-7-6-10(8-13(14)17)15(19)18-9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyDUYYETXQGRAIRV-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.90
Rot. Bonds4

About 3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide

3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide (PubChem CID 27514924) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
PubChem CID27514924
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2F)cc1F
InChIInChI=1S/C15H13F2NO2/c1-20-14-7-6-10(8-13(14)17)15(19)18-9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3,(H,18,19)
InChIKeyDUYYETXQGRAIRV-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 60736763
N-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide
CID 4612534
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
1-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109047212
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
3-(azepan-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 26241498
3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 38293920
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-4-methoxybenzamide
CID 62952153
3-[(4-bromophenyl)sulfamoyl]-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 26887067
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 62920214
N-[[4-(bromomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 107233727

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide?
The IUPAC name of 3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide (CID 27514924) is 3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccccc2F)cc1F.
What is the InChIKey of 3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide?
The InChIKey is DUYYETXQGRAIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-20-14-7-6-10(8-13(14)17)15(19)18-9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide?
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide has a molecular weight of 277.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 27514924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).