(E)-1-(3-aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-one

C15H12ClNO — CID 155817920

IUPAC(E)-1-(3-aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-one
SMILESNc1cccc(C(=O)/C=C/c2cccc(Cl)c2)c1
InChIInChI=1S/C15H12ClNO/c16-13-5-1-3-11(9-13)7-8-15(18)12-4-2-6-14(17)10-12/h1-10H,17H2/b8-7+
InChIKeyAAZBVKWDAQAQQY-BQYQJAHWSA-N
MW257.72 g/mol
LogP3.82
Rot. Bonds3

About (E)-1-(3-aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-one

(E)-1-(3-aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-one (PubChem CID 155817920) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is (E)-1-(3-aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3-aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-one
PubChem CID155817920
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name(E)-1-(3-aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-one
SMILESNc1cccc(C(=O)/C=C/c2cccc(Cl)c2)c1
InChIInChI=1S/C15H12ClNO/c16-13-5-1-3-11(9-13)7-8-15(18)12-4-2-6-14(17)10-12/h1-10H,17H2/b8-7+
InChIKeyAAZBVKWDAQAQQY-BQYQJAHWSA-N
XLogP3.82
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1-(3-aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-one 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

(E)-3-(3-chlorophenyl)-1-(4-chlorophenyl)prop-2-en-1-one
CID 5377001
(E)-3-[3-[(E)-3-(3-aminophenyl)-3-oxoprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 88915064
(E)-3-(3-chlorophenyl)-1-(3,4-difluorophenyl)prop-2-en-1-one
CID 8826736
(E)-1-(3-aminophenyl)-3-(2-chlorophenyl)prop-2-en-1-one
CID 155817922
3-(3-chlorophenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 4079633
(E)-3-(3-chlorophenyl)-1-(4-fluoro-3-methylphenyl)prop-2-en-1-one
CID 39373680
1-(3-aminophenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 57365100
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907
(E)-3-(3-chlorophenyl)-1-pyrrol-1-ylprop-2-en-1-one
CID 102332499
3-(3-aminophenyl)sulfanyl-1-[4-[(E)-3-(3-chlorophenyl)prop-2-enoyl]phenyl]pyrrolidine-2,5-dione
CID 18894069
(E)-N-chloro-3-(3-chlorophenyl)prop-2-enehydrazide
CID 141226455
1,3-bis(3,4-diaminophenyl)prop-2-en-1-one
CID 130286820

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(3-aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-one (CID 155817920) is (E)-1-(3-aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3-aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(3-aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-one is Nc1cccc(C(=O)/C=C/c2cccc(Cl)c2)c1.
What is the InChIKey of (E)-1-(3-aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-one?
The InChIKey is AAZBVKWDAQAQQY-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-13-5-1-3-11(9-13)7-8-15(18)12-4-2-6-14(17)10-12/h1-10H,17H2/b8-7+.
What are the key properties of (E)-1-(3-aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-one?
(E)-1-(3-aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-one has a molecular weight of 257.72 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-aminophenyl)-3-(3-chlorophenyl)prop-2-en-1-one is sourced from PubChem (CID 155817920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).