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

C15H13F2NO2 — CID 30691396

IUPAC2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C15H13F2NO2/c1-20-12-6-7-13(14(17)8-12)15(19)18-9-10-2-4-11(16)5-3-10/h2-8H,9H2,1H3,(H,18,19)
InChIKeySIONLGHWSXJPDZ-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.90
Rot. Bonds4

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

2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide (PubChem CID 30691396) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
PubChem CID30691396
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ccc(F)cc2)c(F)c1
InChIInChI=1S/C15H13F2NO2/c1-20-12-6-7-13(14(17)8-12)15(19)18-9-10-2-4-11(16)5-3-10/h2-8H,9H2,1H3,(H,18,19)
InChIKeySIONLGHWSXJPDZ-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

methyl N-[4-[[(2-fluoro-4-methoxybenzoyl)amino]methyl]phenyl]carbamate
CID 87019008
2-fluoro-4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 86990106
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide
CID 86981597
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2-fluoro-4-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
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N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
2-fluoro-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 113227599
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
2-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
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5-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-methoxybenzamide
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CID 103868606

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide?
The IUPAC name of 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide (CID 30691396) is 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide?
The canonical SMILES for 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2ccc(F)cc2)c(F)c1.
What is the InChIKey of 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide?
The InChIKey is SIONLGHWSXJPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-20-12-6-7-13(14(17)8-12)15(19)18-9-10-2-4-11(16)5-3-10/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide?
2-fluoro-N-[(4-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 2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 30691396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).