3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide

C16H13Cl2NO2 — CID 868727

IUPAC3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(NC(=O)C=Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H13Cl2NO2/c1-21-14-4-2-3-13(10-14)19-16(20)8-6-11-5-7-12(17)9-15(11)18/h2-10H,1H3,(H,19,20)
InChIKeyZPNORPHKXGFXJK-UHFFFAOYSA-N
MW322.19 g/mol
LogP4.65
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide

3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide (PubChem CID 868727) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
PubChem CID868727
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC Name3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(NC(=O)C=Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H13Cl2NO2/c1-21-14-4-2-3-13(10-14)19-16(20)8-6-11-5-7-12(17)9-15(11)18/h2-10H,1H3,(H,19,20)
InChIKeyZPNORPHKXGFXJK-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
(E)-3-(2,4-dichlorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 872620
3-(2,4-dichlorophenyl)-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide
CID 3312765
(E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 6115822
(E)-3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 7784056
3-(2,4-dichlorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 78541367
N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]butanamide
CID 4238227
(E)-3-(2-chlorophenyl)-N-[(3-methoxyphenyl)carbamothioyl]prop-2-enamide
CID 926900
(E)-3-(5-chloro-2-methoxyphenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 17341111
3-(2,4-dichlorophenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 5185153
(E)-2-cyano-3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 18283096
(E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2665177

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide (CID 868727) is 3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide is COc1cccc(NC(=O)C=Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is ZPNORPHKXGFXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c1-21-14-4-2-3-13(10-14)19-16(20)8-6-11-5-7-12(17)9-15(11)18/h2-10H,1H3,(H,19,20).
What are the key properties of 3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide?
3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 322.19 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 868727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).