2-fluoro-5-[[3-(3-fluorophenyl)cyclobutyl]amino]benzonitrile

C17H14F2N2 — CID 62317861

IUPAC2-fluoro-5-[[3-(3-fluorophenyl)cyclobutyl]amino]benzonitrile
SMILESN#Cc1cc(NC2CC(c3cccc(F)c3)C2)ccc1F
InChIInChI=1S/C17H14F2N2/c18-14-3-1-2-11(6-14)12-7-16(8-12)21-15-4-5-17(19)13(9-15)10-20/h1-6,9,12,16,21H,7-8H2
InChIKeySJSOSSFLSRLXBL-UHFFFAOYSA-N
MW284.31 g/mol
LogP4.19
Rot. Bonds3

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

2-fluoro-5-[[3-(3-fluorophenyl)cyclobutyl]amino]benzonitrile (PubChem CID 62317861) has the molecular formula C17H14F2N2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-fluoro-5-[[3-(3-fluorophenyl)cyclobutyl]amino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[[3-(3-fluorophenyl)cyclobutyl]amino]benzonitrile
PubChem CID62317861
Molecular FormulaC17H14F2N2
Molecular Weight284.31 g/mol
Exact Mass284.11
IUPAC Name2-fluoro-5-[[3-(3-fluorophenyl)cyclobutyl]amino]benzonitrile
SMILESN#Cc1cc(NC2CC(c3cccc(F)c3)C2)ccc1F
InChIInChI=1S/C17H14F2N2/c18-14-3-1-2-11(6-14)12-7-16(8-12)21-15-4-5-17(19)13(9-15)10-20/h1-6,9,12,16,21H,7-8H2
InChIKeySJSOSSFLSRLXBL-UHFFFAOYSA-N
XLogP4.19
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[3-(3-chlorophenyl)cyclobutyl]amino]-2-fluorobenzonitrile
CID 63478325
3-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]-4-methylaniline
CID 43633782
5-[(3-aminocyclobutyl)amino]-2-fluorobenzonitrile
CID 80562506
N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline
CID 43633459
4-[[3-(3-fluorophenyl)cyclobutyl]amino]benzamide
CID 43633216
4-bromo-N-[3-(3-fluorophenyl)cyclobutyl]-3-methylaniline
CID 43633146
N-[3-(3-bromophenyl)cyclobutyl]-3,4-difluoroaniline
CID 43633363
3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43633887
N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline
CID 43633962
4-fluoro-N-[3-(3-methylphenyl)cyclobutyl]aniline
CID 43633563
2,6-dichloro-4-[[3-(3-fluorophenyl)cyclobutyl]amino]phenol
CID 107679299
3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633456

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[3-(3-fluorophenyl)cyclobutyl]amino]benzonitrile?
The IUPAC name of 2-fluoro-5-[[3-(3-fluorophenyl)cyclobutyl]amino]benzonitrile (CID 62317861) is 2-fluoro-5-[[3-(3-fluorophenyl)cyclobutyl]amino]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[[3-(3-fluorophenyl)cyclobutyl]amino]benzonitrile?
The canonical SMILES for 2-fluoro-5-[[3-(3-fluorophenyl)cyclobutyl]amino]benzonitrile is N#Cc1cc(NC2CC(c3cccc(F)c3)C2)ccc1F.
What is the InChIKey of 2-fluoro-5-[[3-(3-fluorophenyl)cyclobutyl]amino]benzonitrile?
The InChIKey is SJSOSSFLSRLXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2/c18-14-3-1-2-11(6-14)12-7-16(8-12)21-15-4-5-17(19)13(9-15)10-20/h1-6,9,12,16,21H,7-8H2.
What are the key properties of 2-fluoro-5-[[3-(3-fluorophenyl)cyclobutyl]amino]benzonitrile?
2-fluoro-5-[[3-(3-fluorophenyl)cyclobutyl]amino]benzonitrile has a molecular weight of 284.31 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[3-(3-fluorophenyl)cyclobutyl]amino]benzonitrile is sourced from PubChem (CID 62317861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).