(E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide

C17H16ClNO3 — CID 2665177

IUPAC(E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2cccc(Cl)c2)c1OC
InChIInChI=1S/C17H16ClNO3/c1-21-15-8-3-5-12(17(15)22-2)9-10-16(20)19-14-7-4-6-13(18)11-14/h3-11H,1-2H3,(H,19,20)/b10-9+
InChIKeyMXMRUWPLNAUCPJ-MDZDMXLPSA-N
MW317.77 g/mol
LogP4.01
Rot. Bonds5

About (E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide

(E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide (PubChem CID 2665177) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is (E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
PubChem CID2665177
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name(E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2cccc(Cl)c2)c1OC
InChIInChI=1S/C17H16ClNO3/c1-21-15-8-3-5-12(17(15)22-2)9-10-16(20)19-14-7-4-6-13(18)11-14/h3-11H,1-2H3,(H,19,20)/b10-9+
InChIKeyMXMRUWPLNAUCPJ-MDZDMXLPSA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(3-chloro-4-methoxyphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2590853
(E)-3-(2,3-dimethoxyphenyl)-N-(3-iodophenyl)prop-2-enamide
CID 7928435
N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 716117
(E)-N-(4-acetamidophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 7945153
(E)-3-(2,3-dimethoxyphenyl)-N-(4-iodophenyl)prop-2-enamide
CID 2677492
(E)-N-[4-(carbamoylamino)phenyl]-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 46518654
N-[(3-chlorophenyl)carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 927027
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2085926
(E)-3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 8001993
(E)-N-(3-chloro-4-fluorophenyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 9192215
3-(2-chlorophenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 692536
(E)-3-(2,3-dimethoxyphenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140940

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide (CID 2665177) is (E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2cccc(Cl)c2)c1OC.
What is the InChIKey of (E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide?
The InChIKey is MXMRUWPLNAUCPJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-21-15-8-3-5-12(17(15)22-2)9-10-16(20)19-14-7-4-6-13(18)11-14/h3-11H,1-2H3,(H,19,20)/b10-9+.
What are the key properties of (E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide?
(E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide has a molecular weight of 317.77 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2665177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).