3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide

C21H16ClNO2 — CID 892966

IUPAC3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H16ClNO2/c22-17-9-6-16(7-10-17)8-15-21(24)23-18-11-13-20(14-12-18)25-19-4-2-1-3-5-19/h1-15H,(H,23,24)
InChIKeyCVPOMPWHYNRNHN-UHFFFAOYSA-N
MW349.82 g/mol
LogP5.78
Rot. Bonds5

About 3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide

3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide (PubChem CID 892966) has the molecular formula C21H16ClNO2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
PubChem CID892966
Molecular FormulaC21H16ClNO2
Molecular Weight349.82 g/mol
Exact Mass349.09
IUPAC Name3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H16ClNO2/c22-17-9-6-16(7-10-17)8-15-21(24)23-18-11-13-20(14-12-18)25-19-4-2-1-3-5-19/h1-15H,(H,23,24)
InChIKeyCVPOMPWHYNRNHN-UHFFFAOYSA-N
XLogP5.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.82
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-chlorophenyl)-N-(4-phenoxyphenyl)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-(4-methylphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 898659
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
(Z)-N-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 22301767
3-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 874226
3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972
(E)-N-hydroxy-3-(4-phenoxyphenyl)prop-2-enamide
CID 155562725
(E)-3-(4-chlorophenyl)-N-(4-iodophenyl)prop-2-enamide
CID 1179042
(E)-3-(2-fluorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 7914871
(E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 17195487

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide (CID 892966) is 3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide?
The InChIKey is CVPOMPWHYNRNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO2/c22-17-9-6-16(7-10-17)8-15-21(24)23-18-11-13-20(14-12-18)25-19-4-2-1-3-5-19/h1-15H,(H,23,24).
What are the key properties of 3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide?
3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide has a molecular weight of 349.82 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide is sourced from PubChem (CID 892966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).