(E)-3-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide

C23H20ClNO3 — CID 17195517

IUPAC(E)-3-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C23H20ClNO3/c24-19-12-9-18(10-13-19)11-14-23(26)25-20-5-4-8-22(17-20)28-16-15-27-21-6-2-1-3-7-21/h1-14,17H,15-16H2,(H,25,26)/b14-11+
InChIKeyWBCHNJICWFUPJM-SDNWHVSQSA-N
MW393.87 g/mol
LogP5.45
Rot. Bonds8

About (E)-3-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide

(E)-3-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide (PubChem CID 17195517) has the molecular formula C23H20ClNO3 and a molecular weight of 393.87 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide
PubChem CID17195517
Molecular FormulaC23H20ClNO3
Molecular Weight393.87 g/mol
Exact Mass393.11
IUPAC Name(E)-3-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C23H20ClNO3/c24-19-12-9-18(10-13-19)11-14-23(26)25-20-5-4-8-22(17-20)28-16-15-27-21-6-2-1-3-7-21/h1-14,17H,15-16H2,(H,25,26)/b14-11+
InChIKeyWBCHNJICWFUPJM-SDNWHVSQSA-N
XLogP5.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.87
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-chlorobutoxy)phenyl]-3-phenylprop-2-enamide
CID 142433214
(E)-N-[3-(4-chlorobutoxy)phenyl]-3-phenylprop-2-enamide
CID 135337273
(E)-3-(4-chlorophenyl)-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]prop-2-enamide
CID 17195817
(E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide
CID 17094994
(E)-3-(4-chlorophenyl)-N-[3-(difluoromethoxy)phenyl]prop-2-enamide
CID 2318357
(E)-N-[3-(2-ethoxyethoxy)phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227161
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
(E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide
CID 52700184
N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791655
2-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123541
3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 892966
3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide (CID 17195517) is (E)-3-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide?
The InChIKey is WBCHNJICWFUPJM-SDNWHVSQSA-N. The full InChI is InChI=1S/C23H20ClNO3/c24-19-12-9-18(10-13-19)11-14-23(26)25-20-5-4-8-22(17-20)28-16-15-27-21-6-2-1-3-7-21/h1-14,17H,15-16H2,(H,25,26)/b14-11+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide has a molecular weight of 393.87 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 17195517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).