5-fluoro-2-[3-(methoxymethyl)anilino]benzonitrile

C15H13FN2O — CID 63669379

IUPAC5-fluoro-2-[3-(methoxymethyl)anilino]benzonitrile
SMILESCOCc1cccc(Nc2ccc(F)cc2C#N)c1
InChIInChI=1S/C15H13FN2O/c1-19-10-11-3-2-4-14(7-11)18-15-6-5-13(16)8-12(15)9-17/h2-8,18H,10H2,1H3
InChIKeyJAPXYAKHLKTCIS-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.59
Rot. Bonds4

About 5-fluoro-2-[3-(methoxymethyl)anilino]benzonitrile

5-fluoro-2-[3-(methoxymethyl)anilino]benzonitrile (PubChem CID 63669379) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-fluoro-2-[3-(methoxymethyl)anilino]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[3-(methoxymethyl)anilino]benzonitrile
PubChem CID63669379
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name5-fluoro-2-[3-(methoxymethyl)anilino]benzonitrile
SMILESCOCc1cccc(Nc2ccc(F)cc2C#N)c1
InChIInChI=1S/C15H13FN2O/c1-19-10-11-3-2-4-14(7-11)18-15-6-5-13(16)8-12(15)9-17/h2-8,18H,10H2,1H3
InChIKeyJAPXYAKHLKTCIS-UHFFFAOYSA-N
XLogP3.59
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-3-[[3-(methoxymethyl)anilino]methyl]benzonitrile
CID 107114498
2-(3,4-difluoroanilino)-5-fluorobenzonitrile
CID 63668514
2-(3-chloro-4-methoxyanilino)-5-fluorobenzonitrile
CID 55231919
2-(4-butylanilino)-5-fluorobenzonitrile
CID 63668868
2-[3-(methoxymethyl)anilino]pyridine-4-carbonitrile
CID 54965543
1-N-[3-(methoxymethyl)phenyl]-4-nitrobenzene-1,2-diamine
CID 62506472
2-(4-aminoanilino)-5-fluorobenzonitrile
CID 63672563
5-fluoro-2-(3-fluoro-2-methylanilino)benzonitrile
CID 63667348
4-[3-(methoxymethyl)anilino]-3-methylbenzoic acid
CID 63212426
2-(2,3-difluoroanilino)-5-fluorobenzonitrile
CID 55233913
2,3,5,6-tetrafluoro-N-[3-(methoxymethyl)phenyl]pyridin-4-amine
CID 79904677
2-(2-cyano-4-fluoroanilino)-4-methoxybenzonitrile
CID 82016657

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-(methoxymethyl)anilino]benzonitrile?
The IUPAC name of 5-fluoro-2-[3-(methoxymethyl)anilino]benzonitrile (CID 63669379) is 5-fluoro-2-[3-(methoxymethyl)anilino]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[3-(methoxymethyl)anilino]benzonitrile?
The canonical SMILES for 5-fluoro-2-[3-(methoxymethyl)anilino]benzonitrile is COCc1cccc(Nc2ccc(F)cc2C#N)c1.
What is the InChIKey of 5-fluoro-2-[3-(methoxymethyl)anilino]benzonitrile?
The InChIKey is JAPXYAKHLKTCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-19-10-11-3-2-4-14(7-11)18-15-6-5-13(16)8-12(15)9-17/h2-8,18H,10H2,1H3.
What are the key properties of 5-fluoro-2-[3-(methoxymethyl)anilino]benzonitrile?
5-fluoro-2-[3-(methoxymethyl)anilino]benzonitrile has a molecular weight of 256.28 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-(methoxymethyl)anilino]benzonitrile is sourced from PubChem (CID 63669379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).