(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide

C17H16ClNO2 — CID 692423

IUPAC(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO2/c1-2-21-16-10-8-15(9-11-16)19-17(20)12-5-13-3-6-14(18)7-4-13/h3-12H,2H2,1H3,(H,19,20)/b12-5+
InChIKeyOTWHVWSRHXODOH-LFYBBSHMSA-N
MW301.77 g/mol
LogP4.39
Rot. Bonds5

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

(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 692423) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
PubChem CID692423
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO2/c1-2-21-16-10-8-15(9-11-16)19-17(20)12-5-13-3-6-14(18)7-4-13/h3-12H,2H2,1H3,(H,19,20)/b12-5+
InChIKeyOTWHVWSRHXODOH-LFYBBSHMSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.39
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

N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 17195487
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 17195477
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 17227131
(E)-3-(3-amino-4-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 39423072
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methylprop-2-enoxy)phenyl]prop-2-enamide
CID 17227148
(E)-N-(4-chlorophenyl)-3-[4-(cyanomethoxy)phenyl]prop-2-enamide
CID 26581088
(E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide
CID 7924174
N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732824
4-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylbenzamide
CID 17234449

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide (CID 692423) is (E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is OTWHVWSRHXODOH-LFYBBSHMSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-2-21-16-10-8-15(9-11-16)19-17(20)12-5-13-3-6-14(18)7-4-13/h3-12H,2H2,1H3,(H,19,20)/b12-5+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide has a molecular weight of 301.77 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 692423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).