2-(2-acetyl-4-aminophenoxy)-4-chlorobenzonitrile

C15H11ClN2O2 — CID 116541510

IUPAC2-(2-acetyl-4-aminophenoxy)-4-chlorobenzonitrile
SMILESCC(=O)c1cc(N)ccc1Oc1cc(Cl)ccc1C#N
InChIInChI=1S/C15H11ClN2O2/c1-9(19)13-7-12(18)4-5-14(13)20-15-6-11(16)3-2-10(15)8-17/h2-7H,18H2,1H3
InChIKeyKZVHTTLWMLFROR-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.79
Rot. Bonds3

About 2-(2-acetyl-4-aminophenoxy)-4-chlorobenzonitrile

2-(2-acetyl-4-aminophenoxy)-4-chlorobenzonitrile (PubChem CID 116541510) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-(2-acetyl-4-aminophenoxy)-4-chlorobenzonitrile.

Molecular Properties

Compound Name2-(2-acetyl-4-aminophenoxy)-4-chlorobenzonitrile
PubChem CID116541510
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name2-(2-acetyl-4-aminophenoxy)-4-chlorobenzonitrile
SMILESCC(=O)c1cc(N)ccc1Oc1cc(Cl)ccc1C#N
InChIInChI=1S/C15H11ClN2O2/c1-9(19)13-7-12(18)4-5-14(13)20-15-6-11(16)3-2-10(15)8-17/h2-7H,18H2,1H3
InChIKeyKZVHTTLWMLFROR-UHFFFAOYSA-N
XLogP3.79
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-acetyl-4-aminophenoxy)-4-chlorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-amino-2-fluorophenoxy)-4-chlorobenzonitrile
CID 63083303
2-(2-acetyl-4-aminophenoxy)-6-chlorobenzonitrile
CID 116541422
5-amino-2-(2-bromo-4-chlorophenoxy)benzonitrile
CID 61298397
5-(2-acetyl-4-aminophenoxy)pyrazine-2-carbonitrile
CID 116541439
5-amino-2-(2,4-dichlorophenoxy)benzoic acid
CID 54888100
1-[5-amino-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanone
CID 103046263
2-(4-amino-2,5-dimethylphenoxy)-4-chlorobenzonitrile
CID 55159990
(4-amino-2-cyanophenyl) ethaneperoxoate
CID 87651236
ethyl 5-amino-2-(4-chloro-2-methylphenoxy)benzoate
CID 61306317
4-bromo-2-(5-chloro-2-cyanophenoxy)benzoic acid
CID 63082119
2-(2-amino-4-chlorophenoxy)-4-methoxybenzonitrile
CID 81302575
1-[5-bromo-2-(5-chloro-2-methylphenoxy)phenyl]ethanone
CID 82971527

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-aminophenoxy)-4-chlorobenzonitrile?
The IUPAC name of 2-(2-acetyl-4-aminophenoxy)-4-chlorobenzonitrile (CID 116541510) is 2-(2-acetyl-4-aminophenoxy)-4-chlorobenzonitrile.
What is the SMILES notation for 2-(2-acetyl-4-aminophenoxy)-4-chlorobenzonitrile?
The canonical SMILES for 2-(2-acetyl-4-aminophenoxy)-4-chlorobenzonitrile is CC(=O)c1cc(N)ccc1Oc1cc(Cl)ccc1C#N.
What is the InChIKey of 2-(2-acetyl-4-aminophenoxy)-4-chlorobenzonitrile?
The InChIKey is KZVHTTLWMLFROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-9(19)13-7-12(18)4-5-14(13)20-15-6-11(16)3-2-10(15)8-17/h2-7H,18H2,1H3.
What are the key properties of 2-(2-acetyl-4-aminophenoxy)-4-chlorobenzonitrile?
2-(2-acetyl-4-aminophenoxy)-4-chlorobenzonitrile has a molecular weight of 286.72 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-aminophenoxy)-4-chlorobenzonitrile is sourced from PubChem (CID 116541510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).