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

C17H16ClNO2 — CID 805515

IUPAC(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClNO2/c1-2-21-14-10-7-13(8-11-14)9-12-17(20)19-16-6-4-3-5-15(16)18/h3-12H,2H2,1H3,(H,19,20)/b12-9+
InChIKeyORWUCDFSZHIGLQ-FMIVXFBMSA-N
MW301.77 g/mol
LogP4.39
Rot. Bonds5

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

(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 805515) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is (E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
PubChem CID805515
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClNO2/c1-2-21-14-10-7-13(8-11-14)9-12-17(20)19-16-6-4-3-5-15(16)18/h3-12H,2H2,1H3,(H,19,20)/b12-9+
InChIKeyORWUCDFSZHIGLQ-FMIVXFBMSA-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

3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 2792142
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591
(E)-N-(2,5-dichlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227087
(E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732821
(E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 804776
(E)-N-(2-chlorophenyl)-3-[4-[(4-chlorophenyl)methoxy]phenyl]prop-2-enamide
CID 51058015
N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5073679
2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 17195477
N-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 17227107
(E)-3-(4-ethoxyphenyl)-N-[2-(4-methylanilino)phenyl]prop-2-enamide
CID 108767339
(E)-3-(4-ethoxyphenyl)-N-(2-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 60549387
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide (CID 805515) is (E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of (E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is ORWUCDFSZHIGLQ-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-2-21-14-10-7-13(8-11-14)9-12-17(20)19-16-6-4-3-5-15(16)18/h3-12H,2H2,1H3,(H,19,20)/b12-9+.
What are the key properties of (E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide?
(E)-N-(2-chlorophenyl)-3-(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)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 805515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).