2-[(4-cyclopentylanilino)methyl]-4-fluorobenzonitrile

C19H19FN2 — CID 135144381

IUPAC2-[(4-cyclopentylanilino)methyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1CNc1ccc(C2CCCC2)cc1
InChIInChI=1S/C19H19FN2/c20-18-8-5-16(12-21)17(11-18)13-22-19-9-6-15(7-10-19)14-3-1-2-4-14/h5-11,14,22H,1-4,13H2
InChIKeyPMHKDPVJVYGESZ-UHFFFAOYSA-N
MW294.37 g/mol
LogP4.97
Rot. Bonds4

About 2-[(4-cyclopentylanilino)methyl]-4-fluorobenzonitrile

2-[(4-cyclopentylanilino)methyl]-4-fluorobenzonitrile (PubChem CID 135144381) has the molecular formula C19H19FN2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[(4-cyclopentylanilino)methyl]-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(4-cyclopentylanilino)methyl]-4-fluorobenzonitrile
PubChem CID135144381
Molecular FormulaC19H19FN2
Molecular Weight294.37 g/mol
Exact Mass294.15
IUPAC Name2-[(4-cyclopentylanilino)methyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1CNc1ccc(C2CCCC2)cc1
InChIInChI=1S/C19H19FN2/c20-18-8-5-16(12-21)17(11-18)13-22-19-9-6-15(7-10-19)14-3-1-2-4-14/h5-11,14,22H,1-4,13H2
InChIKeyPMHKDPVJVYGESZ-UHFFFAOYSA-N
XLogP4.97
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(cycloheptylamino)methyl]-4-fluorobenzonitrile
CID 107903846
4-fluoro-2-[(3-fluoro-4-methylanilino)methyl]benzonitrile
CID 103760969
4-fluoro-2-[(3-iodoanilino)methyl]benzonitrile
CID 103761094
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-fluorobenzonitrile
CID 107904611
2-[(2,5-difluoroanilino)methyl]-4-fluorobenzonitrile
CID 103760986
2-[(2,2-dicyclopropylethylamino)methyl]-4-fluorobenzonitrile
CID 107904450
2-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile
CID 135144481
2-[(2,6-dichloro-4-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 107904696
2-[(2-bromo-5-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 103761123
2-[[cyclohexyl(methyl)amino]methyl]-4-fluorobenzonitrile
CID 103760538
2-[(1-cyclopropylpropan-2-ylamino)methyl]-4-fluorobenzonitrile
CID 107904345
4-[(2-cyano-5-fluorophenyl)methylamino]-3-methoxybenzonitrile
CID 104843704

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentylanilino)methyl]-4-fluorobenzonitrile?
The IUPAC name of 2-[(4-cyclopentylanilino)methyl]-4-fluorobenzonitrile (CID 135144381) is 2-[(4-cyclopentylanilino)methyl]-4-fluorobenzonitrile.
What is the SMILES notation for 2-[(4-cyclopentylanilino)methyl]-4-fluorobenzonitrile?
The canonical SMILES for 2-[(4-cyclopentylanilino)methyl]-4-fluorobenzonitrile is N#Cc1ccc(F)cc1CNc1ccc(C2CCCC2)cc1.
What is the InChIKey of 2-[(4-cyclopentylanilino)methyl]-4-fluorobenzonitrile?
The InChIKey is PMHKDPVJVYGESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2/c20-18-8-5-16(12-21)17(11-18)13-22-19-9-6-15(7-10-19)14-3-1-2-4-14/h5-11,14,22H,1-4,13H2.
What are the key properties of 2-[(4-cyclopentylanilino)methyl]-4-fluorobenzonitrile?
2-[(4-cyclopentylanilino)methyl]-4-fluorobenzonitrile has a molecular weight of 294.37 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentylanilino)methyl]-4-fluorobenzonitrile is sourced from PubChem (CID 135144381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).