3-amino-4-[(2,5-dichlorophenyl)methoxy]benzonitrile

C14H10Cl2N2O — CID 65318301

IUPAC3-amino-4-[(2,5-dichlorophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2cc(Cl)ccc2Cl)c(N)c1
InChIInChI=1S/C14H10Cl2N2O/c15-11-2-3-12(16)10(6-11)8-19-14-4-1-9(7-17)5-13(14)18/h1-6H,8,18H2
InChIKeyLGSLSTFQJCDGIP-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.03
Rot. Bonds3

About 3-amino-4-[(2,5-dichlorophenyl)methoxy]benzonitrile

3-amino-4-[(2,5-dichlorophenyl)methoxy]benzonitrile (PubChem CID 65318301) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is 3-amino-4-[(2,5-dichlorophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name3-amino-4-[(2,5-dichlorophenyl)methoxy]benzonitrile
PubChem CID65318301
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name3-amino-4-[(2,5-dichlorophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2cc(Cl)ccc2Cl)c(N)c1
InChIInChI=1S/C14H10Cl2N2O/c15-11-2-3-12(16)10(6-11)8-19-14-4-1-9(7-17)5-13(14)18/h1-6H,8,18H2
InChIKeyLGSLSTFQJCDGIP-UHFFFAOYSA-N
XLogP4.03
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.03
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-[(2-amino-4-chlorophenoxy)methyl]-3-methylbenzonitrile
CID 114478962
4-[(2,5-dichlorophenyl)methoxy]benzonitrile
CID 65317709
3-[(2-amino-4,5-dichlorophenoxy)methyl]-4-fluorobenzonitrile
CID 107498575
4-chloro-2-[(2,5-dichlorophenyl)methoxy]benzonitrile
CID 114322743
2-[(2-amino-4-chlorophenoxy)methyl]benzonitrile
CID 24704666
2-[2-[(2-amino-4-cyanophenoxy)methyl]phenyl]acetic acid
CID 115460512
methyl 3-amino-4-[(2,5-dichlorophenyl)methoxy]benzoate
CID 65316790
4-[(4-chloro-2-methylphenoxy)methyl]-3-methylbenzonitrile
CID 114481490
4-[(4-amino-2-chlorophenyl)methoxy]-3-fluorobenzonitrile
CID 107670241
4-[(2-bromo-4-chlorophenoxy)methyl]-3-methylbenzonitrile
CID 114481493
3-amino-4-[(3,5-difluorophenyl)methoxy]benzonitrile
CID 105402147
2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene
CID 65316926

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2,5-dichlorophenyl)methoxy]benzonitrile?
The IUPAC name of 3-amino-4-[(2,5-dichlorophenyl)methoxy]benzonitrile (CID 65318301) is 3-amino-4-[(2,5-dichlorophenyl)methoxy]benzonitrile.
What is the SMILES notation for 3-amino-4-[(2,5-dichlorophenyl)methoxy]benzonitrile?
The canonical SMILES for 3-amino-4-[(2,5-dichlorophenyl)methoxy]benzonitrile is N#Cc1ccc(OCc2cc(Cl)ccc2Cl)c(N)c1.
What is the InChIKey of 3-amino-4-[(2,5-dichlorophenyl)methoxy]benzonitrile?
The InChIKey is LGSLSTFQJCDGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c15-11-2-3-12(16)10(6-11)8-19-14-4-1-9(7-17)5-13(14)18/h1-6H,8,18H2.
What are the key properties of 3-amino-4-[(2,5-dichlorophenyl)methoxy]benzonitrile?
3-amino-4-[(2,5-dichlorophenyl)methoxy]benzonitrile has a molecular weight of 293.15 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2,5-dichlorophenyl)methoxy]benzonitrile is sourced from PubChem (CID 65318301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).