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

C17H16ClNO2 — CID 692552

IUPAC(E)-3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2ccccc2Cl)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)/b12-7+
InChIKeyXNGNZAMTZUCCGN-KPKJPENVSA-N
MW301.77 g/mol
LogP4.39
Rot. Bonds5

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

(E)-3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 692552) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
PubChem CID692552
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name(E)-3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2ccccc2Cl)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)/b12-7+
InChIKeyXNGNZAMTZUCCGN-KPKJPENVSA-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-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692551
(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 (E)-3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide (CID 692552) is (E)-3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is XNGNZAMTZUCCGN-KPKJPENVSA-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)/b12-7+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide?
(E)-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 (E)-3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 692552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).