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

C14H10ClFN2 — CID 28843551

IUPAC4-[(2-chloro-4-fluoroanilino)methyl]benzonitrile
SMILESN#Cc1ccc(CNc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C14H10ClFN2/c15-13-7-12(16)5-6-14(13)18-9-11-3-1-10(8-17)2-4-11/h1-7,18H,9H2
InChIKeyVKASLMFXSZOIFH-UHFFFAOYSA-N
MW260.70 g/mol
LogP3.96
Rot. Bonds3

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

4-[(2-chloro-4-fluoroanilino)methyl]benzonitrile (PubChem CID 28843551) has the molecular formula C14H10ClFN2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 4-[(2-chloro-4-fluoroanilino)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(2-chloro-4-fluoroanilino)methyl]benzonitrile
PubChem CID28843551
Molecular FormulaC14H10ClFN2
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC Name4-[(2-chloro-4-fluoroanilino)methyl]benzonitrile
SMILESN#Cc1ccc(CNc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C14H10ClFN2/c15-13-7-12(16)5-6-14(13)18-9-11-3-1-10(8-17)2-4-11/h1-7,18H,9H2
InChIKeyVKASLMFXSZOIFH-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-[(4-ethylphenyl)methylamino]benzonitrile
CID 106899839
4-[(2-amino-5-fluoroanilino)methyl]benzonitrile
CID 62377489
3-amino-4-[(4-fluorophenyl)methylamino]benzonitrile
CID 43518027
4-[(2-chloro-4-fluoroanilino)methyl]benzoic acid
CID 55049785
N-(2-chloro-4-fluorophenyl)-3-(4-cyanophenyl)propanamide
CID 41485117
4-[(4-fluorophenyl)methylamino]benzonitrile
CID 22353725
4-[(5-bromo-2-chloroanilino)methyl]benzonitrile
CID 55130313
4-[(2-bromo-4-chloroanilino)methyl]benzonitrile
CID 81262865
N-[(3-bromo-4-fluorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 29079789
2-[(4-chloro-3-fluorophenyl)methylamino]-5-fluorobenzonitrile
CID 82012960
4-[[2-chloro-5-(trifluoromethyl)anilino]methyl]benzonitrile
CID 29293314
N-[4-[(2-chloro-4-cyanoanilino)methyl]phenyl]acetamide
CID 107807525

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-fluoroanilino)methyl]benzonitrile?
The IUPAC name of 4-[(2-chloro-4-fluoroanilino)methyl]benzonitrile (CID 28843551) is 4-[(2-chloro-4-fluoroanilino)methyl]benzonitrile.
What is the SMILES notation for 4-[(2-chloro-4-fluoroanilino)methyl]benzonitrile?
The canonical SMILES for 4-[(2-chloro-4-fluoroanilino)methyl]benzonitrile is N#Cc1ccc(CNc2ccc(F)cc2Cl)cc1.
What is the InChIKey of 4-[(2-chloro-4-fluoroanilino)methyl]benzonitrile?
The InChIKey is VKASLMFXSZOIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2/c15-13-7-12(16)5-6-14(13)18-9-11-3-1-10(8-17)2-4-11/h1-7,18H,9H2.
What are the key properties of 4-[(2-chloro-4-fluoroanilino)methyl]benzonitrile?
4-[(2-chloro-4-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 4-[(2-chloro-4-fluoroanilino)methyl]benzonitrile is sourced from PubChem (CID 28843551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).