(E)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide

C19H18Cl2N2O3 — CID 9440326

IUPAC(E)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H18Cl2N2O3/c1-2-26-15-7-3-13(4-8-15)5-10-18(24)22-12-19(25)23-17-11-14(20)6-9-16(17)21/h3-11H,2,12H2,1H3,(H,22,24)(H,23,25)/b10-5+
InChIKeyAJYQCXDRADWDDB-BJMVGYQFSA-N
MW393.27 g/mol
LogP4.16
Rot. Bonds7

About (E)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide

(E)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 9440326) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is (E)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide
PubChem CID9440326
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name(E)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H18Cl2N2O3/c1-2-26-15-7-3-13(4-8-15)5-10-18(24)22-12-19(25)23-17-11-14(20)6-9-16(17)21/h3-11H,2,12H2,1H3,(H,22,24)(H,23,25)/b10-5+
InChIKeyAJYQCXDRADWDDB-BJMVGYQFSA-N
XLogP4.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.16
H-Bond Donors ≤ 52
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-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227087
(E)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 26712863
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 8502071
(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-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide
CID 3324390
4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide
CID 9440425
(E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805674
[2-(2,5-dichloroanilino)-2-oxoethyl] 3-(4-methylphenyl)prop-2-enoate
CID 1189613
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

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide (CID 9440326) is (E)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of (E)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is AJYQCXDRADWDDB-BJMVGYQFSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c1-2-26-15-7-3-13(4-8-15)5-10-18(24)22-12-19(25)23-17-11-14(20)6-9-16(17)21/h3-11H,2,12H2,1H3,(H,22,24)(H,23,25)/b10-5+.
What are the key properties of (E)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide?
(E)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide has a molecular weight of 393.27 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 9440326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).