2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide

C15H13F2NO2 — CID 103774616

IUPAC2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2cccc(F)c2)c(F)c1
InChIInChI=1S/C15H13F2NO2/c1-18(11-5-3-4-10(16)8-11)15(19)13-7-6-12(20-2)9-14(13)17/h3-9H,1-2H3
InChIKeyJTCDVQGLYHKIKJ-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.25
Rot. Bonds3

About 2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide

2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide (PubChem CID 103774616) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide
PubChem CID103774616
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2cccc(F)c2)c(F)c1
InChIInChI=1S/C15H13F2NO2/c1-18(11-5-3-4-10(16)8-11)15(19)13-7-6-12(20-2)9-14(13)17/h3-9H,1-2H3
InChIKeyJTCDVQGLYHKIKJ-UHFFFAOYSA-N
XLogP3.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-methoxy-N-methyl-N-phenylbenzamide
CID 39963889
N-(3-aminophenyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102881879
N-[3-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 102881845
4-fluoro-2-hydroxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 107015204
2-amino-4-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide
CID 63110478
2-amino-4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 115413114
2,4-difluoro-N-methyl-N-(4-phenoxyphenyl)benzamide
CID 47085591
2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735649
3-bromo-2-fluoro-N-(3-methoxyphenyl)-N-methylbenzamide
CID 107952292
N-[2-(aminomethyl)phenyl]-2-fluoro-4-methoxy-N-methylbenzamide
CID 102881851
2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide
CID 166182143
2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide
CID 107075081

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide?
The IUPAC name of 2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide (CID 103774616) is 2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide?
The canonical SMILES for 2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)c2cccc(F)c2)c(F)c1.
What is the InChIKey of 2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide?
The InChIKey is JTCDVQGLYHKIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-18(11-5-3-4-10(16)8-11)15(19)13-7-6-12(20-2)9-14(13)17/h3-9H,1-2H3.
What are the key properties of 2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide?
2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide has a molecular weight of 277.27 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-fluorophenyl)-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 103774616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).