ethyl 3-(2-chlorophenyl)-2-formamidoprop-2-enoate

C12H12ClNO3 — CID 74935582

IUPACethyl 3-(2-chlorophenyl)-2-formamidoprop-2-enoate
SMILESCCOC(=O)C(=Cc1ccccc1Cl)NC=O
InChIInChI=1S/C12H12ClNO3/c1-2-17-12(16)11(14-8-15)7-9-5-3-4-6-10(9)13/h3-8H,2H2,1H3,(H,14,15)
InChIKeyIUJMAIXKNQJCRQ-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.99
Rot. Bonds5

About ethyl 3-(2-chlorophenyl)-2-formamidoprop-2-enoate

ethyl 3-(2-chlorophenyl)-2-formamidoprop-2-enoate (PubChem CID 74935582) has the molecular formula C12H12ClNO3 and a molecular weight of 253.69 g/mol. Its IUPAC name is ethyl 3-(2-chlorophenyl)-2-formamidoprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(2-chlorophenyl)-2-formamidoprop-2-enoate
PubChem CID74935582
Molecular FormulaC12H12ClNO3
Molecular Weight253.69 g/mol
Exact Mass253.05
IUPAC Nameethyl 3-(2-chlorophenyl)-2-formamidoprop-2-enoate
SMILESCCOC(=O)C(=Cc1ccccc1Cl)NC=O
InChIInChI=1S/C12H12ClNO3/c1-2-17-12(16)11(14-8-15)7-9-5-3-4-6-10(9)13/h3-8H,2H2,1H3,(H,14,15)
InChIKeyIUJMAIXKNQJCRQ-UHFFFAOYSA-N
XLogP1.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-2-chloro-3-(2-chlorophenyl)prop-2-enoate
CID 13428145
ethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate
CID 101333146
ethyl (E)-4-(2-chlorophenyl)-2-oxobut-3-enoate
CID 53386631
ethyl 3-(3-fluorophenyl)-2-formamidoprop-2-enoate
CID 91419249
ethyl (Z)-2-formamido-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 5368608
ethyl 3-bromo-2-formamido-3-phenylprop-2-enoate
CID 86631799
ethyl 3-(3,4-dimethoxyphenyl)-2-formamidoprop-2-enoate
CID 85438887
ethyl 5-(2-chlorophenyl)penta-2,4-dienoate
CID 91012118
ethyl 3-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate
CID 47393873
ethyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 4038214
potassium (Z)-1-(3-chloro-2-nitrophenyl)-3-ethoxy-3-oxoprop-1-en-2-olate
CID 134840259
2-[(2-chlorophenyl)methylidene]butanoic acid
CID 54425924

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-chlorophenyl)-2-formamidoprop-2-enoate?
The IUPAC name of ethyl 3-(2-chlorophenyl)-2-formamidoprop-2-enoate (CID 74935582) is ethyl 3-(2-chlorophenyl)-2-formamidoprop-2-enoate.
What is the SMILES notation for ethyl 3-(2-chlorophenyl)-2-formamidoprop-2-enoate?
The canonical SMILES for ethyl 3-(2-chlorophenyl)-2-formamidoprop-2-enoate is CCOC(=O)C(=Cc1ccccc1Cl)NC=O.
What is the InChIKey of ethyl 3-(2-chlorophenyl)-2-formamidoprop-2-enoate?
The InChIKey is IUJMAIXKNQJCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c1-2-17-12(16)11(14-8-15)7-9-5-3-4-6-10(9)13/h3-8H,2H2,1H3,(H,14,15).
What are the key properties of ethyl 3-(2-chlorophenyl)-2-formamidoprop-2-enoate?
ethyl 3-(2-chlorophenyl)-2-formamidoprop-2-enoate has a molecular weight of 253.69 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-chlorophenyl)-2-formamidoprop-2-enoate is sourced from PubChem (CID 74935582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).