3-chloro-4-[(2-fluoroanilino)methyl]benzonitrile

C14H10ClFN2 — CID 102663908

IUPAC3-chloro-4-[(2-fluoroanilino)methyl]benzonitrile
SMILESN#Cc1ccc(CNc2ccccc2F)c(Cl)c1
InChIInChI=1S/C14H10ClFN2/c15-12-7-10(8-17)5-6-11(12)9-18-14-4-2-1-3-13(14)16/h1-7,18H,9H2
InChIKeyMRMOBXXWFBASET-UHFFFAOYSA-N
MW260.70 g/mol
LogP3.96
Rot. Bonds3

About 3-chloro-4-[(2-fluoroanilino)methyl]benzonitrile

3-chloro-4-[(2-fluoroanilino)methyl]benzonitrile (PubChem CID 102663908) has the molecular formula C14H10ClFN2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 3-chloro-4-[(2-fluoroanilino)methyl]benzonitrile.

Molecular Properties

Compound Name3-chloro-4-[(2-fluoroanilino)methyl]benzonitrile
PubChem CID102663908
Molecular FormulaC14H10ClFN2
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC Name3-chloro-4-[(2-fluoroanilino)methyl]benzonitrile
SMILESN#Cc1ccc(CNc2ccccc2F)c(Cl)c1
InChIInChI=1S/C14H10ClFN2/c15-12-7-10(8-17)5-6-11(12)9-18-14-4-2-1-3-13(14)16/h1-7,18H,9H2
InChIKeyMRMOBXXWFBASET-UHFFFAOYSA-N
XLogP3.96
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[(2-fluoro-5-methylanilino)methyl]benzonitrile
CID 102663988
3-chloro-4-[(2-chloro-5-fluoroanilino)methyl]benzonitrile
CID 107528339
4-[(2-bromo-3-chloroanilino)methyl]-3-chlorobenzonitrile
CID 103479071
3-chloro-4-[(2,4,6-trifluoroanilino)methyl]benzonitrile
CID 102664684
N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline
CID 106862168
3-chloro-4-[(4-fluoro-2-methylanilino)methyl]benzonitrile
CID 102663936
3-chloro-4-[(5-chloro-2-methylanilino)methyl]benzonitrile
CID 102663740
3-[(5-chloro-2-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 43438478
4-chloro-3-[(4-chloro-2-fluorophenyl)methylamino]benzonitrile
CID 114842499
3-chloro-4-[(2-chloro-4-methylphenyl)methylamino]benzonitrile
CID 107807744
3-chloro-4-[[(2-chlorophenyl)methylamino]methyl]benzonitrile
CID 102663839
3-bromo-4-[(2,4-dichlorophenyl)methylamino]benzonitrile
CID 43722738

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-fluoroanilino)methyl]benzonitrile?
The IUPAC name of 3-chloro-4-[(2-fluoroanilino)methyl]benzonitrile (CID 102663908) is 3-chloro-4-[(2-fluoroanilino)methyl]benzonitrile.
What is the SMILES notation for 3-chloro-4-[(2-fluoroanilino)methyl]benzonitrile?
The canonical SMILES for 3-chloro-4-[(2-fluoroanilino)methyl]benzonitrile is N#Cc1ccc(CNc2ccccc2F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(2-fluoroanilino)methyl]benzonitrile?
The InChIKey is MRMOBXXWFBASET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2/c15-12-7-10(8-17)5-6-11(12)9-18-14-4-2-1-3-13(14)16/h1-7,18H,9H2.
What are the key properties of 3-chloro-4-[(2-fluoroanilino)methyl]benzonitrile?
3-chloro-4-[(2-fluoroanilino)methyl]benzonitrile has a molecular weight of 260.70 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-fluoroanilino)methyl]benzonitrile is sourced from PubChem (CID 102663908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).