5-fluoro-2-[(3-methoxycyclopentyl)amino]benzonitrile

C13H15FN2O — CID 103082053

IUPAC5-fluoro-2-[(3-methoxycyclopentyl)amino]benzonitrile
SMILESCOC1CCC(Nc2ccc(F)cc2C#N)C1
InChIInChI=1S/C13H15FN2O/c1-17-12-4-3-11(7-12)16-13-5-2-10(14)6-9(13)8-15/h2,5-6,11-12,16H,3-4,7H2,1H3
InChIKeyYAVYMFQBOODAAD-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.68
Rot. Bonds3

About 5-fluoro-2-[(3-methoxycyclopentyl)amino]benzonitrile

5-fluoro-2-[(3-methoxycyclopentyl)amino]benzonitrile (PubChem CID 103082053) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 5-fluoro-2-[(3-methoxycyclopentyl)amino]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[(3-methoxycyclopentyl)amino]benzonitrile
PubChem CID103082053
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name5-fluoro-2-[(3-methoxycyclopentyl)amino]benzonitrile
SMILESCOC1CCC(Nc2ccc(F)cc2C#N)C1
InChIInChI=1S/C13H15FN2O/c1-17-12-4-3-11(7-12)16-13-5-2-10(14)6-9(13)8-15/h2,5-6,11-12,16H,3-4,7H2,1H3
InChIKeyYAVYMFQBOODAAD-UHFFFAOYSA-N
XLogP2.68
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-ylamino)-5-fluorobenzonitrile
CID 63672782
5-fluoro-2-[(1-methylazepan-4-yl)amino]benzonitrile
CID 82015465
4-fluoro-2-iodo-N-(3-methoxycyclohexyl)aniline
CID 79769252
2-fluoro-N-(3-methoxycyclopentyl)-4-nitroaniline
CID 103082166
2-[(1,5-dimethylpyrrolidin-3-yl)amino]-5-fluorobenzonitrile
CID 82014852
2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile
CID 103081967
5-fluoro-2-[[3-(2-methylphenyl)cyclobutyl]amino]benzonitrile
CID 79034251
4-fluoro-N-(3-methoxycyclobutyl)-2-methylaniline
CID 104870486
2-[(2,4-dimethylcyclohexyl)amino]-5-fluorobenzonitrile
CID 63996705
5-fluoro-2-[(2-methyloxolan-3-yl)amino]benzonitrile
CID 82717620
5-chloro-2-(cyclopropylamino)benzonitrile
CID 62494157
2-[(3-methoxycyclopentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 103082181

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(3-methoxycyclopentyl)amino]benzonitrile?
The IUPAC name of 5-fluoro-2-[(3-methoxycyclopentyl)amino]benzonitrile (CID 103082053) is 5-fluoro-2-[(3-methoxycyclopentyl)amino]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[(3-methoxycyclopentyl)amino]benzonitrile?
The canonical SMILES for 5-fluoro-2-[(3-methoxycyclopentyl)amino]benzonitrile is COC1CCC(Nc2ccc(F)cc2C#N)C1.
What is the InChIKey of 5-fluoro-2-[(3-methoxycyclopentyl)amino]benzonitrile?
The InChIKey is YAVYMFQBOODAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-17-12-4-3-11(7-12)16-13-5-2-10(14)6-9(13)8-15/h2,5-6,11-12,16H,3-4,7H2,1H3.
What are the key properties of 5-fluoro-2-[(3-methoxycyclopentyl)amino]benzonitrile?
5-fluoro-2-[(3-methoxycyclopentyl)amino]benzonitrile has a molecular weight of 234.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(3-methoxycyclopentyl)amino]benzonitrile is sourced from PubChem (CID 103082053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).