2-cyclopentyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile

C27H35FN2 — CID 21181788

IUPAC2-cyclopentyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile
SMILESCCC(CCC(C#N)(c1ccc(F)cc1)C1CCCC1)N(C)CCc1ccccc1
InChIInChI=1S/C27H35FN2/c1-3-26(30(2)20-18-22-9-5-4-6-10-22)17-19-27(21-29,23-11-7-8-12-23)24-13-15-25(28)16-14-24/h4-6,9-10,13-16,23,26H,3,7-8,11-12,17-20H2,1-2H3
InChIKeyVGKWCVDMJOZDPB-UHFFFAOYSA-N
MW406.59 g/mol
LogP6.51
Rot. Bonds10

About 2-cyclopentyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile

2-cyclopentyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile (PubChem CID 21181788) has the molecular formula C27H35FN2 and a molecular weight of 406.59 g/mol. Its IUPAC name is 2-cyclopentyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile.

Molecular Properties

Compound Name2-cyclopentyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile
PubChem CID21181788
Molecular FormulaC27H35FN2
Molecular Weight406.59 g/mol
Exact Mass406.28
IUPAC Name2-cyclopentyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile
SMILESCCC(CCC(C#N)(c1ccc(F)cc1)C1CCCC1)N(C)CCc1ccccc1
InChIInChI=1S/C27H35FN2/c1-3-26(30(2)20-18-22-9-5-4-6-10-22)17-19-27(21-29,23-11-7-8-12-23)24-13-15-25(28)16-14-24/h4-6,9-10,13-16,23,26H,3,7-8,11-12,17-20H2,1-2H3
InChIKeyVGKWCVDMJOZDPB-UHFFFAOYSA-N
XLogP6.51
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.59
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclopentyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclobutyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile
CID 21181827
2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]-2-(4-fluorophenyl)heptanenitrile
CID 21181150
2-cyclopentyl-2-(2-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile
CID 21181502
5-[benzyl(methyl)amino]-2-cyclopropyl-2-(4-fluorophenyl)heptanenitrile
CID 21181243
2-cyclopentyl-5-[ethyl(2-phenylethyl)amino]-2-(4-fluorophenyl)hexanenitrile
CID 21181199
2-cyclobutyl-2-(3,4-difluorophenyl)-5-[ethyl(2-phenylethyl)amino]heptanenitrile
CID 21181836
2-cyclohexyl-2-(4-fluorophenyl)-5-[2-phenylethyl(propan-2-yl)amino]pentanenitrile
CID 154428250
5-[benzyl(methyl)amino]-2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclopentylheptanenitrile
CID 21181340
5-[benzyl(methyl)amino]-2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclohexylheptanenitrile
CID 21181114
5-[benzyl(propyl)amino]-2-cyclobutyl-2-(4-fluorophenyl)hexanenitrile
CID 21181099
2-cyclopentyl-2-(3,4-dichlorophenyl)-5-[2-phenylethyl(propyl)amino]heptanenitrile
CID 21181571
5-[benzyl(methyl)amino]-2-cyclopentyl-2-[2-(trifluoromethyl)phenyl]heptanenitrile
CID 21181361

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile?
The IUPAC name of 2-cyclopentyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile (CID 21181788) is 2-cyclopentyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile.
What is the SMILES notation for 2-cyclopentyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile?
The canonical SMILES for 2-cyclopentyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile is CCC(CCC(C#N)(c1ccc(F)cc1)C1CCCC1)N(C)CCc1ccccc1.
What is the InChIKey of 2-cyclopentyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile?
The InChIKey is VGKWCVDMJOZDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN2/c1-3-26(30(2)20-18-22-9-5-4-6-10-22)17-19-27(21-29,23-11-7-8-12-23)24-13-15-25(28)16-14-24/h4-6,9-10,13-16,23,26H,3,7-8,11-12,17-20H2,1-2H3.
What are the key properties of 2-cyclopentyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile?
2-cyclopentyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile has a molecular weight of 406.59 g/mol, XLogP of 6.51, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile is sourced from PubChem (CID 21181788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).