ethyl 2-(3-chloroanilino)prop-2-enoate

C11H12ClNO2 — CID 150837034

IUPACethyl 2-(3-chloroanilino)prop-2-enoate
SMILESC=C(Nc1cccc(Cl)c1)C(=O)OCC
InChIInChI=1S/C11H12ClNO2/c1-3-15-11(14)8(2)13-10-6-4-5-9(12)7-10/h4-7,13H,2-3H2,1H3
InChIKeyKNERCOBAXUXDGU-UHFFFAOYSA-N
MW225.67 g/mol
LogP2.83
Rot. Bonds4

About ethyl 2-(3-chloroanilino)prop-2-enoate

ethyl 2-(3-chloroanilino)prop-2-enoate (PubChem CID 150837034) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is ethyl 2-(3-chloroanilino)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(3-chloroanilino)prop-2-enoate
PubChem CID150837034
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC Nameethyl 2-(3-chloroanilino)prop-2-enoate
SMILESC=C(Nc1cccc(Cl)c1)C(=O)OCC
InChIInChI=1S/C11H12ClNO2/c1-3-15-11(14)8(2)13-10-6-4-5-9(12)7-10/h4-7,13H,2-3H2,1H3
InChIKeyKNERCOBAXUXDGU-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 52.83
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

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ethyl (2E)-2-[(3-chlorophenyl)hydrazinylidene]but-3-enoate
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ethyl 2-[(3-chlorophenyl)carbamoyl]-3,3-dimethylbutanoate
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butyl 2-(3-chloroanilino)-2-oxoacetate
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diethyl 3-(3-chloroanilino)pent-2-enedioate
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ethyl 3-[[3-(3-chloroanilino)-3-oxopropyl]-methylamino]propanoate
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3-(3-chloroanilino)-N-methyl-2-oxobut-3-enamide
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2-amino-N-(3-chlorophenyl)-2-ethylbutanamide
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-chloroanilino)prop-2-enoate?
The IUPAC name of ethyl 2-(3-chloroanilino)prop-2-enoate (CID 150837034) is ethyl 2-(3-chloroanilino)prop-2-enoate.
What is the SMILES notation for ethyl 2-(3-chloroanilino)prop-2-enoate?
The canonical SMILES for ethyl 2-(3-chloroanilino)prop-2-enoate is C=C(Nc1cccc(Cl)c1)C(=O)OCC.
What is the InChIKey of ethyl 2-(3-chloroanilino)prop-2-enoate?
The InChIKey is KNERCOBAXUXDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-3-15-11(14)8(2)13-10-6-4-5-9(12)7-10/h4-7,13H,2-3H2,1H3.
What are the key properties of ethyl 2-(3-chloroanilino)prop-2-enoate?
ethyl 2-(3-chloroanilino)prop-2-enoate has a molecular weight of 225.67 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-chloroanilino)prop-2-enoate is sourced from PubChem (CID 150837034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).