5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorobenzonitrile

C17H14F2N2 — CID 62317514

IUPAC5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorobenzonitrile
SMILESN#Cc1cc(NC(c2ccc(F)cc2)C2CC2)ccc1F
InChIInChI=1S/C17H14F2N2/c18-14-5-3-12(4-6-14)17(11-1-2-11)21-15-7-8-16(19)13(9-15)10-20/h3-9,11,17,21H,1-2H2
InChIKeyFBQIEEJDAUGSGL-UHFFFAOYSA-N
MW284.31 g/mol
LogP4.40
Rot. Bonds4

About 5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorobenzonitrile

5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorobenzonitrile (PubChem CID 62317514) has the molecular formula C17H14F2N2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorobenzonitrile
PubChem CID62317514
Molecular FormulaC17H14F2N2
Molecular Weight284.31 g/mol
Exact Mass284.11
IUPAC Name5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorobenzonitrile
SMILESN#Cc1cc(NC(c2ccc(F)cc2)C2CC2)ccc1F
InChIInChI=1S/C17H14F2N2/c18-14-5-3-12(4-6-14)17(11-1-2-11)21-15-7-8-16(19)13(9-15)10-20/h3-9,11,17,21H,1-2H2
InChIKeyFBQIEEJDAUGSGL-UHFFFAOYSA-N
XLogP4.40
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Benzylamino)benzonitrile
CID 324787
2-[(1-Benzylpiperidin-4-yl)amino]-6-fluorobenzonitrile
CID 2804378
N-benzyl-4-fluoroaniline
CID 913402
N,2-Diphenylglycinonitrile
CID 345685
3-(Cyclohexylamino)benzonitrile
CID 16108886
4-[(Phenylamino)methyl]benzonitrile
CID 11148468
N-((2-fluorophenyl)methyl)aniline
CID 4711891
4-[4-[[(3R)-3-amino-4-(3,4-difluorophenyl)butyl]amino]piperidin-1-yl]-2,6-difluorobenzonitrile;hydrochloride
CID 44523562
N,N-dimethyl-4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]aniline
CID 145987662
Cyto9C8
CID 2732644
2-(3-Trifluoromethyl-phenylamino)-b
CID 11673349
(Z)-3-[4-(cyclohexylamino)phenyl]-2-phenylprop-2-enenitrile
CID 57342536

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorobenzonitrile?
The IUPAC name of 5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorobenzonitrile (CID 62317514) is 5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorobenzonitrile?
The canonical SMILES for 5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorobenzonitrile is N#Cc1cc(NC(c2ccc(F)cc2)C2CC2)ccc1F.
What is the InChIKey of 5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorobenzonitrile?
The InChIKey is FBQIEEJDAUGSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2/c18-14-5-3-12(4-6-14)17(11-1-2-11)21-15-7-8-16(19)13(9-15)10-20/h3-9,11,17,21H,1-2H2.
What are the key properties of 5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorobenzonitrile?
5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorobenzonitrile has a molecular weight of 284.31 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-fluorobenzonitrile is sourced from PubChem (CID 62317514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).