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

C15H13F2NO2 — CID 87027852

IUPAC3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2ccc(F)cc2)cc1F
InChIInChI=1S/C15H13F2NO2/c1-18(12-6-4-11(16)5-7-12)15(19)10-3-8-14(20-2)13(17)9-10/h3-9H,1-2H3
InChIKeyAFFKBNAGSKKKBM-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.25
Rot. Bonds3

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

3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide (PubChem CID 87027852) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
PubChem CID87027852
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)c2ccc(F)cc2)cc1F
InChIInChI=1S/C15H13F2NO2/c1-18(12-6-4-11(16)5-7-12)15(19)10-3-8-14(20-2)13(17)9-10/h3-9H,1-2H3
InChIKeyAFFKBNAGSKKKBM-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

(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
N-(4-fluorophenyl)-3,4-dihydroxy-N-methylbenzamide
CID 103956579
N-(2-amino-5-chlorophenyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 107465720
3-fluoro-4-methoxy-N-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 86980050
N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide
CID 113094823
N-(3-aminopropyl)-3-fluoro-4-methoxy-N-methylbenzamide
CID 55130619
3-fluoro-N-(4-fluorophenyl)-N-methyl-4-nitrobenzamide
CID 62682016
3-hydroxy-4-methoxy-N-methyl-N-phenylbenzamide
CID 79725609
3-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 86906434
3-fluoro-4-methoxybenzoate
CID 4251674
2-chloro-1-(3-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)ethanone
CID 81242733

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide?
The IUPAC name of 3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide (CID 87027852) is 3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)c2ccc(F)cc2)cc1F.
What is the InChIKey of 3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide?
The InChIKey is AFFKBNAGSKKKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-18(12-6-4-11(16)5-7-12)15(19)10-3-8-14(20-2)13(17)9-10/h3-9H,1-2H3.
What are the key properties of 3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide?
3-fluoro-N-(4-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 3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 87027852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).