(Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide

C15H12ClNO2 — CID 170876770

IUPAC(Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide
SMILESNC(=O)/C=C\c1ccccc1Oc1cccc(Cl)c1
InChIInChI=1S/C15H12ClNO2/c16-12-5-3-6-13(10-12)19-14-7-2-1-4-11(14)8-9-15(17)18/h1-10H,(H2,17,18)/b9-8-
InChIKeyZSZUYNOZFJHEEF-HJWRWDBZSA-N
MW273.72 g/mol
LogP3.63
Rot. Bonds4

About (Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide

(Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide (PubChem CID 170876770) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is (Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide
PubChem CID170876770
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name(Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide
SMILESNC(=O)/C=C\c1ccccc1Oc1cccc(Cl)c1
InChIInChI=1S/C15H12ClNO2/c16-12-5-3-6-13(10-12)19-14-7-2-1-4-11(14)8-9-15(17)18/h1-10H,(H2,17,18)/b9-8-
InChIKeyZSZUYNOZFJHEEF-HJWRWDBZSA-N
XLogP3.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide 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-(2-phenoxyphenyl)prop-2-enamide
CID 1490836
(Z)-3-[2-(3,4-difluorophenoxy)phenyl]prop-2-enamide
CID 170876774
3-(2-phenoxyphenyl)prop-2-enoic acid
CID 737422
2-(3-chlorophenoxy)benzoyl bromide
CID 139662791
3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 169482051
3-(4-chloro-3-phenoxyphenyl)prop-2-enamide
CID 175380872
3-[2-(3,4-dichlorophenoxy)phenyl]-N-hydroxyprop-2-enamide
CID 78137725
N-hydroxy-3-[2-(3-methoxyphenoxy)phenyl]prop-2-enamide
CID 78137677
1,2-dichloro-3-(3-chlorophenoxy)benzene
CID 72941852
(E)-3-[2-(3-chlorophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 114057080
2-[2-(3-amino-3-oxoprop-1-enyl)phenoxy]acetic acid
CID 169482271
(E)-3-(2-propoxyphenyl)prop-2-enamide
CID 82040605

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide?
The IUPAC name of (Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide (CID 170876770) is (Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide is NC(=O)/C=C\c1ccccc1Oc1cccc(Cl)c1.
What is the InChIKey of (Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide?
The InChIKey is ZSZUYNOZFJHEEF-HJWRWDBZSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-12-5-3-6-13(10-12)19-14-7-2-1-4-11(14)8-9-15(17)18/h1-10H,(H2,17,18)/b9-8-.
What are the key properties of (Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide?
(Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide has a molecular weight of 273.72 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-(3-chlorophenoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 170876770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).