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

C17H16ClNO2 — CID 692551

IUPAC3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)C=Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClNO2/c1-2-21-15-10-8-14(9-11-15)19-17(20)12-7-13-5-3-4-6-16(13)18/h3-12H,2H2,1H3,(H,19,20)
InChIKeyXNGNZAMTZUCCGN-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.39
Rot. Bonds5

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

3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 692551) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
PubChem CID692551
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)C=Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H16ClNO2/c1-2-21-15-10-8-14(9-11-15)19-17(20)12-7-13-5-3-4-6-16(13)18/h3-12H,2H2,1H3,(H,19,20)
InChIKeyXNGNZAMTZUCCGN-UHFFFAOYSA-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

(E)-3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692552
(E)-3-(2-chlorophenyl)-N-[4-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 6242476
3-(2-chlorophenyl)-N-[4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 4949705
(E)-3-(2-chloro-6-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 6282671
(E)-N-[(4-butoxyphenyl)carbamothioyl]-3-(2-chlorophenyl)prop-2-enamide
CID 6234645
(E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 5339096
3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 692550
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
propan-2-yl 4-[3-(2-chlorophenyl)prop-2-enoylamino]benzoate
CID 5098902
(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 8698699

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide (CID 692551) is 3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(NC(=O)C=Cc2ccccc2Cl)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is XNGNZAMTZUCCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-2-21-15-10-8-14(9-11-15)19-17(20)12-7-13-5-3-4-6-16(13)18/h3-12H,2H2,1H3,(H,19,20).
What are the key properties of 3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide?
3-(2-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 3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 692551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).