ethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate

C13H14ClNO3 — CID 11334658

IUPACethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate
SMILESCCOC(=O)/C=C(\NC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClNO3/c1-3-18-13(17)8-12(15-9(2)16)10-4-6-11(14)7-5-10/h4-8H,3H2,1-2H3,(H,15,16)/b12-8-
InChIKeyYHFWKUCNKCKOIV-WQLSENKSSA-N
MW267.71 g/mol
LogP2.38
Rot. Bonds4

About ethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate

ethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate (PubChem CID 11334658) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is ethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate
PubChem CID11334658
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Nameethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate
SMILESCCOC(=O)/C=C(\NC(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClNO3/c1-3-18-13(17)8-12(15-9(2)16)10-4-6-11(14)7-5-10/h4-8H,3H2,1-2H3,(H,15,16)/b12-8-
InChIKeyYHFWKUCNKCKOIV-WQLSENKSSA-N
XLogP2.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enoate
CID 100940925
N-[1-(4-chlorophenyl)prop-1-enyl]acetamide
CID 54375508
(Z)-2-(4-chlorophenyl)-4-ethoxy-4-oxobut-2-enoic acid
CID 141256904
bis(ethyl (Z)-3-acetamido-3-phenylprop-2-enoate);ethyl (Z)-3-benzamido-3-phenylprop-2-enoate;methyl 3-acetamidobut-2-enoate;methyl (Z)-3-acetamidobut-2-enoate;methyl (E)-3-acetamidobut-2-enoate
CID 161033990
ethyl (E)-3-(4-chlorophenyl)-4,4,4-trifluorobut-2-enoate
CID 11277437
N-[(E)-1-(4-chlorophenyl)-2-cyanoethenyl]acetamide
CID 121221706
ethyl 3-(methylamino)-3-phenylprop-2-enoate
CID 58005139
N-[(Z)-1-(4-chlorophenyl)-2-dimethoxyphosphorylethenyl]acetamide
CID 101478074
ethyl (Z)-3-[2-[2-(4-chlorophenyl)ethynyl]anilino]-3-phenylprop-2-enoate
CID 164679544
ethyl (Z)-3-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyloxyprop-2-enoate
CID 122220841
[1-(4-chloroanilino)-3-ethoxy-3-oxoprop-1-enyl]azanium chloride
CID 2763884
(E)-1-(4-chlorophenyl)-3-ethoxy-3-(methylamino)prop-2-en-1-one
CID 100936418

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate (CID 11334658) is ethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate is CCOC(=O)/C=C(\NC(C)=O)c1ccc(Cl)cc1.
What is the InChIKey of ethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate?
The InChIKey is YHFWKUCNKCKOIV-WQLSENKSSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-3-18-13(17)8-12(15-9(2)16)10-4-6-11(14)7-5-10/h4-8H,3H2,1-2H3,(H,15,16)/b12-8-.
What are the key properties of ethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate?
ethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate has a molecular weight of 267.71 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate is sourced from PubChem (CID 11334658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).