(E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide

C19H20ClNO3 — CID 732821

IUPAC(E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccccc2Cl)cc1OCC
InChIInChI=1S/C19H20ClNO3/c1-3-23-17-11-9-14(13-18(17)24-4-2)10-12-19(22)21-16-8-6-5-7-15(16)20/h5-13H,3-4H2,1-2H3,(H,21,22)/b12-10+
InChIKeyBDWBBJJTLYARPS-ZRDIBKRKSA-N
MW345.83 g/mol
LogP4.79
Rot. Bonds7

About (E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide

(E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide (PubChem CID 732821) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is (E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
PubChem CID732821
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name(E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccccc2Cl)cc1OCC
InChIInChI=1S/C19H20ClNO3/c1-3-23-17-11-9-14(13-18(17)24-4-2)10-12-19(22)21-16-8-6-5-7-15(16)20/h5-13H,3-4H2,1-2H3,(H,21,22)/b12-10+
InChIKeyBDWBBJJTLYARPS-ZRDIBKRKSA-N
XLogP4.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.79
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

N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5073679
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
N-(2-chloro-4-methoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 103598924
N-(3,4-dichlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 5046140
N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732824
3-(5-bromo-2-ethoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 1182153
[2-(2-chloroanilino)-2-oxoethyl] (E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 7791013
(E)-N-(3-chloro-4-methoxyphenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 5449139
(E)-N-(2-chloro-4,6-dimethylphenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 1178503
(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 82153857
(E)-N-(2-butoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 166162419

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide (CID 732821) is (E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)Nc2ccccc2Cl)cc1OCC.
What is the InChIKey of (E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide?
The InChIKey is BDWBBJJTLYARPS-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-3-23-17-11-9-14(13-18(17)24-4-2)10-12-19(22)21-16-8-6-5-7-15(16)20/h5-13H,3-4H2,1-2H3,(H,21,22)/b12-10+.
What are the key properties of (E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide?
(E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide has a molecular weight of 345.83 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 732821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).