4-[(4-amino-2-chlorophenyl)methoxy]-3-fluorobenzonitrile

C14H10ClFN2O — CID 107670241

IUPAC4-[(4-amino-2-chlorophenyl)methoxy]-3-fluorobenzonitrile
SMILESN#Cc1ccc(OCc2ccc(N)cc2Cl)c(F)c1
InChIInChI=1S/C14H10ClFN2O/c15-12-6-11(18)3-2-10(12)8-19-14-4-1-9(7-17)5-13(14)16/h1-6H,8,18H2
InChIKeyWUKFZLLJCGAQMJ-UHFFFAOYSA-N
MW276.70 g/mol
LogP3.51
Rot. Bonds3

About 4-[(4-amino-2-chlorophenyl)methoxy]-3-fluorobenzonitrile

4-[(4-amino-2-chlorophenyl)methoxy]-3-fluorobenzonitrile (PubChem CID 107670241) has the molecular formula C14H10ClFN2O and a molecular weight of 276.70 g/mol. Its IUPAC name is 4-[(4-amino-2-chlorophenyl)methoxy]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(4-amino-2-chlorophenyl)methoxy]-3-fluorobenzonitrile
PubChem CID107670241
Molecular FormulaC14H10ClFN2O
Molecular Weight276.70 g/mol
Exact Mass276.05
IUPAC Name4-[(4-amino-2-chlorophenyl)methoxy]-3-fluorobenzonitrile
SMILESN#Cc1ccc(OCc2ccc(N)cc2Cl)c(F)c1
InChIInChI=1S/C14H10ClFN2O/c15-12-6-11(18)3-2-10(12)8-19-14-4-1-9(7-17)5-13(14)16/h1-6H,8,18H2
InChIKeyWUKFZLLJCGAQMJ-UHFFFAOYSA-N
XLogP3.51
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(2-aminoethyl)-2-fluorophenoxy]methyl]-3-fluorobenzonitrile
CID 107692723
3-chloro-4-[(2,3-difluorophenoxy)methyl]benzonitrile
CID 102665921
4-[(4-amino-2,5-difluorophenoxy)methyl]-3-fluorobenzonitrile
CID 63597416
4-[(4-bromo-2-fluorophenoxy)methyl]-3-fluorobenzonitrile
CID 28880519
3-[(4-amino-2,6-dichlorophenoxy)methyl]-4-fluorobenzonitrile
CID 43351659
3-[(2-amino-4,5-dichlorophenoxy)methyl]-4-fluorobenzonitrile
CID 107498575
4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile
CID 114046415
N-[4-[(2-chloro-4-cyanophenyl)methoxy]-3-fluorophenyl]prop-2-enamide
CID 167449801
4-[[2-[(1S)-1-aminoethyl]-4-fluorophenoxy]methyl]-3-chlorobenzonitrile
CID 102663705
3-chloro-4-[(2,4-dibromophenoxy)methyl]benzonitrile
CID 102665938
4-[(4-bromo-2-chlorophenoxy)methyl]-3-chlorobenzonitrile
CID 102665843
4-[[2-(2-aminoethyl)-4-fluorophenoxy]methyl]-3-fluorobenzonitrile
CID 107700296

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2-chlorophenyl)methoxy]-3-fluorobenzonitrile?
The IUPAC name of 4-[(4-amino-2-chlorophenyl)methoxy]-3-fluorobenzonitrile (CID 107670241) is 4-[(4-amino-2-chlorophenyl)methoxy]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[(4-amino-2-chlorophenyl)methoxy]-3-fluorobenzonitrile?
The canonical SMILES for 4-[(4-amino-2-chlorophenyl)methoxy]-3-fluorobenzonitrile is N#Cc1ccc(OCc2ccc(N)cc2Cl)c(F)c1.
What is the InChIKey of 4-[(4-amino-2-chlorophenyl)methoxy]-3-fluorobenzonitrile?
The InChIKey is WUKFZLLJCGAQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O/c15-12-6-11(18)3-2-10(12)8-19-14-4-1-9(7-17)5-13(14)16/h1-6H,8,18H2.
What are the key properties of 4-[(4-amino-2-chlorophenyl)methoxy]-3-fluorobenzonitrile?
4-[(4-amino-2-chlorophenyl)methoxy]-3-fluorobenzonitrile has a molecular weight of 276.70 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2-chlorophenyl)methoxy]-3-fluorobenzonitrile is sourced from PubChem (CID 107670241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).