(E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide

C17H15Cl2NO2 — CID 17227087

IUPAC(E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H15Cl2NO2/c1-2-22-14-7-3-12(4-8-14)5-10-17(21)20-16-11-13(18)6-9-15(16)19/h3-11H,2H2,1H3,(H,20,21)/b10-5+
InChIKeyTWIPLPBEIDIJHD-BJMVGYQFSA-N
MW336.22 g/mol
LogP5.04
Rot. Bonds5

About (E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide

(E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 17227087) has the molecular formula C17H15Cl2NO2 and a molecular weight of 336.22 g/mol. Its IUPAC name is (E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
PubChem CID17227087
Molecular FormulaC17H15Cl2NO2
Molecular Weight336.22 g/mol
Exact Mass335.05
IUPAC Name(E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C17H15Cl2NO2/c1-2-22-14-7-3-12(4-8-14)5-10-17(21)20-16-11-13(18)6-9-15(16)19/h3-11H,2H2,1H3,(H,20,21)/b10-5+
InChIKeyTWIPLPBEIDIJHD-BJMVGYQFSA-N
XLogP5.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.22
LogP ≤ 55.04
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

(E)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 9440326
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide
CID 3324390
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
3-(4-butoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 4088773
(E)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 46462125
(E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805674
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-propoxyphenyl)prop-2-enamide
CID 2791739
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 17195477
(E)-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 18267641
N-(2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 680257

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide (CID 17227087) is (E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of (E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is TWIPLPBEIDIJHD-BJMVGYQFSA-N. The full InChI is InChI=1S/C17H15Cl2NO2/c1-2-22-14-7-3-12(4-8-14)5-10-17(21)20-16-11-13(18)6-9-15(16)19/h3-11H,2H2,1H3,(H,20,21)/b10-5+.
What are the key properties of (E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
(E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide has a molecular weight of 336.22 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 17227087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).