2-amino-4-chloro-3-(2-chlorophenyl)-6-propan-2-yloxybenzonitrile

C16H14Cl2N2O — CID 175129041

IUPAC2-amino-4-chloro-3-(2-chlorophenyl)-6-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1cc(Cl)c(-c2ccccc2Cl)c(N)c1C#N
InChIInChI=1S/C16H14Cl2N2O/c1-9(2)21-14-7-13(18)15(16(20)11(14)8-19)10-5-3-4-6-12(10)17/h3-7,9H,20H2,1-2H3
InChIKeyYNEWLYDECDEODH-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.90
Rot. Bonds3

About 2-amino-4-chloro-3-(2-chlorophenyl)-6-propan-2-yloxybenzonitrile

2-amino-4-chloro-3-(2-chlorophenyl)-6-propan-2-yloxybenzonitrile (PubChem CID 175129041) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 2-amino-4-chloro-3-(2-chlorophenyl)-6-propan-2-yloxybenzonitrile.

Molecular Properties

Compound Name2-amino-4-chloro-3-(2-chlorophenyl)-6-propan-2-yloxybenzonitrile
PubChem CID175129041
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name2-amino-4-chloro-3-(2-chlorophenyl)-6-propan-2-yloxybenzonitrile
SMILESCC(C)Oc1cc(Cl)c(-c2ccccc2Cl)c(N)c1C#N
InChIInChI=1S/C16H14Cl2N2O/c1-9(2)21-14-7-13(18)15(16(20)11(14)8-19)10-5-3-4-6-12(10)17/h3-7,9H,20H2,1-2H3
InChIKeyYNEWLYDECDEODH-UHFFFAOYSA-N
XLogP4.90
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.90
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-chlorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684094
2-amino-4-(3-chloro-4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile
CID 98019781
1-chloro-2-propan-2-yloxybenzene;ethane
CID 143368114
2-amino-5-chloro-4-propan-2-yloxybenzonitrile
CID 20506444
5-(3-chloro-2-fluorophenyl)-2-propan-2-yloxybenzonitrile
CID 175684025
2-amino-4-(2-chlorophenyl)-6-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 4636440
2-amino-4-(2-chlorophenyl)-5-methyl-6-[(2R)-2-methylbutyl]pyridine-3-carbonitrile
CID 882406
2-amino-4-(2-chlorophenyl)-5-methyl-6-[(2R)-2-methylbutyl]pyridin-1-ium-3-carbonitrile
CID 7324662
2,5-dichloro-4-propan-2-yloxyaniline
CID 84819900
4-(2-chlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
CID 94282088
3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile
CID 51348276
(5E)-2-amino-5-[(3-chloro-4-propan-2-yloxyphenyl)methylidene]-4,6-dimethylcyclopenta[b]pyridine-3,7-dicarbonitrile
CID 5439598

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-3-(2-chlorophenyl)-6-propan-2-yloxybenzonitrile?
The IUPAC name of 2-amino-4-chloro-3-(2-chlorophenyl)-6-propan-2-yloxybenzonitrile (CID 175129041) is 2-amino-4-chloro-3-(2-chlorophenyl)-6-propan-2-yloxybenzonitrile.
What is the SMILES notation for 2-amino-4-chloro-3-(2-chlorophenyl)-6-propan-2-yloxybenzonitrile?
The canonical SMILES for 2-amino-4-chloro-3-(2-chlorophenyl)-6-propan-2-yloxybenzonitrile is CC(C)Oc1cc(Cl)c(-c2ccccc2Cl)c(N)c1C#N.
What is the InChIKey of 2-amino-4-chloro-3-(2-chlorophenyl)-6-propan-2-yloxybenzonitrile?
The InChIKey is YNEWLYDECDEODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-9(2)21-14-7-13(18)15(16(20)11(14)8-19)10-5-3-4-6-12(10)17/h3-7,9H,20H2,1-2H3.
What are the key properties of 2-amino-4-chloro-3-(2-chlorophenyl)-6-propan-2-yloxybenzonitrile?
2-amino-4-chloro-3-(2-chlorophenyl)-6-propan-2-yloxybenzonitrile has a molecular weight of 321.21 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-3-(2-chlorophenyl)-6-propan-2-yloxybenzonitrile is sourced from PubChem (CID 175129041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).