4-fluoro-3-[(naphthalen-2-ylamino)methyl]benzonitrile

C18H13FN2 — CID 43420104

IUPAC4-fluoro-3-[(naphthalen-2-ylamino)methyl]benzonitrile
SMILESN#Cc1ccc(F)c(CNc2ccc3ccccc3c2)c1
InChIInChI=1S/C18H13FN2/c19-18-8-5-13(11-20)9-16(18)12-21-17-7-6-14-3-1-2-4-15(14)10-17/h1-10,21H,12H2
InChIKeyHPWZBGJLUBFNIB-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.46
Rot. Bonds3

About 4-fluoro-3-[(naphthalen-2-ylamino)methyl]benzonitrile

4-fluoro-3-[(naphthalen-2-ylamino)methyl]benzonitrile (PubChem CID 43420104) has the molecular formula C18H13FN2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 4-fluoro-3-[(naphthalen-2-ylamino)methyl]benzonitrile.

Molecular Properties

Compound Name4-fluoro-3-[(naphthalen-2-ylamino)methyl]benzonitrile
PubChem CID43420104
Molecular FormulaC18H13FN2
Molecular Weight276.31 g/mol
Exact Mass276.11
IUPAC Name4-fluoro-3-[(naphthalen-2-ylamino)methyl]benzonitrile
SMILESN#Cc1ccc(F)c(CNc2ccc3ccccc3c2)c1
InChIInChI=1S/C18H13FN2/c19-18-8-5-13(11-20)9-16(18)12-21-17-7-6-14-3-1-2-4-15(14)10-17/h1-10,21H,12H2
InChIKeyHPWZBGJLUBFNIB-UHFFFAOYSA-N
XLogP4.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,4-dichloroanilino)methyl]-4-fluorobenzonitrile
CID 28577948
4-fluoro-3-[(3-methylanilino)methyl]benzonitrile
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3-[(4-bromo-3,5-dimethylanilino)methyl]-4-fluorobenzonitrile
CID 107573641
3-[(2,6-dimethylanilino)methyl]-4-fluorobenzonitrile
CID 62331907
3-[(5-chloro-2-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 43438478
2-[(5-cyano-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580666
4-fluoro-3-[(2,4,6-tribromoanilino)methyl]benzonitrile
CID 28992070
3-[(2-cyano-4-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 79034004
4-fluoro-3-[(quinazolin-4-ylamino)methyl]benzonitrile
CID 91643499
3-[[(5-amino-1H-1,2,4-triazol-3-yl)amino]methyl]-4-fluorobenzonitrile
CID 121320303
4-fluoro-3-[(3-phenoxypropylamino)methyl]benzonitrile
CID 62380780
1,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrrole-2-carbonitrile
CID 115584985

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(naphthalen-2-ylamino)methyl]benzonitrile?
The IUPAC name of 4-fluoro-3-[(naphthalen-2-ylamino)methyl]benzonitrile (CID 43420104) is 4-fluoro-3-[(naphthalen-2-ylamino)methyl]benzonitrile.
What is the SMILES notation for 4-fluoro-3-[(naphthalen-2-ylamino)methyl]benzonitrile?
The canonical SMILES for 4-fluoro-3-[(naphthalen-2-ylamino)methyl]benzonitrile is N#Cc1ccc(F)c(CNc2ccc3ccccc3c2)c1.
What is the InChIKey of 4-fluoro-3-[(naphthalen-2-ylamino)methyl]benzonitrile?
The InChIKey is HPWZBGJLUBFNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2/c19-18-8-5-13(11-20)9-16(18)12-21-17-7-6-14-3-1-2-4-15(14)10-17/h1-10,21H,12H2.
What are the key properties of 4-fluoro-3-[(naphthalen-2-ylamino)methyl]benzonitrile?
4-fluoro-3-[(naphthalen-2-ylamino)methyl]benzonitrile has a molecular weight of 276.31 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(naphthalen-2-ylamino)methyl]benzonitrile is sourced from PubChem (CID 43420104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).