1-[4-fluoro-3-(3-methoxyanilino)phenyl]ethanone

C15H14FNO2 — CID 82535316

IUPAC1-[4-fluoro-3-(3-methoxyanilino)phenyl]ethanone
SMILESCOc1cccc(Nc2cc(C(C)=O)ccc2F)c1
InChIInChI=1S/C15H14FNO2/c1-10(18)11-6-7-14(16)15(8-11)17-12-4-3-5-13(9-12)19-2/h3-9,17H,1-2H3
InChIKeyPDPDHXMYULALIC-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.78
Rot. Bonds4

About 1-[4-fluoro-3-(3-methoxyanilino)phenyl]ethanone

1-[4-fluoro-3-(3-methoxyanilino)phenyl]ethanone (PubChem CID 82535316) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 1-[4-fluoro-3-(3-methoxyanilino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-3-(3-methoxyanilino)phenyl]ethanone
PubChem CID82535316
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name1-[4-fluoro-3-(3-methoxyanilino)phenyl]ethanone
SMILESCOc1cccc(Nc2cc(C(C)=O)ccc2F)c1
InChIInChI=1S/C15H14FNO2/c1-10(18)11-6-7-14(16)15(8-11)17-12-4-3-5-13(9-12)19-2/h3-9,17H,1-2H3
InChIKeyPDPDHXMYULALIC-UHFFFAOYSA-N
XLogP3.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone
CID 82482529
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
2-fluoro-5-(3-methoxyanilino)benzoic acid
CID 82537034
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
2-fluoro-6-(3-methoxyanilino)benzenecarbothioamide
CID 79513512
2-(2,5-difluoroanilino)-N-(3-methoxyphenyl)acetamide
CID 28574559
3-fluoro-4-(3-methoxyanilino)benzenecarboximidamide
CID 82240745
1-[4-fluoro-3-(methylamino)phenyl]ethanone
CID 67800838
2-(4-acetylanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109269511
5-(3-acetylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245209

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(3-methoxyanilino)phenyl]ethanone?
The IUPAC name of 1-[4-fluoro-3-(3-methoxyanilino)phenyl]ethanone (CID 82535316) is 1-[4-fluoro-3-(3-methoxyanilino)phenyl]ethanone.
What is the SMILES notation for 1-[4-fluoro-3-(3-methoxyanilino)phenyl]ethanone?
The canonical SMILES for 1-[4-fluoro-3-(3-methoxyanilino)phenyl]ethanone is COc1cccc(Nc2cc(C(C)=O)ccc2F)c1.
What is the InChIKey of 1-[4-fluoro-3-(3-methoxyanilino)phenyl]ethanone?
The InChIKey is PDPDHXMYULALIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10(18)11-6-7-14(16)15(8-11)17-12-4-3-5-13(9-12)19-2/h3-9,17H,1-2H3.
What are the key properties of 1-[4-fluoro-3-(3-methoxyanilino)phenyl]ethanone?
1-[4-fluoro-3-(3-methoxyanilino)phenyl]ethanone has a molecular weight of 259.28 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(3-methoxyanilino)phenyl]ethanone is sourced from PubChem (CID 82535316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).