ethyl 2-[(4-chloro-2-hydroxybenzoyl)-prop-2-enylamino]acetate

C14H16ClNO4 — CID 78978801

IUPACethyl 2-[(4-chloro-2-hydroxybenzoyl)-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C14H16ClNO4/c1-3-7-16(9-13(18)20-4-2)14(19)11-6-5-10(15)8-12(11)17/h3,5-6,8,17H,1,4,7,9H2,2H3
InChIKeyRIMBRFFVGGUCJF-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.24
Rot. Bonds6

About ethyl 2-[(4-chloro-2-hydroxybenzoyl)-prop-2-enylamino]acetate

ethyl 2-[(4-chloro-2-hydroxybenzoyl)-prop-2-enylamino]acetate (PubChem CID 78978801) has the molecular formula C14H16ClNO4 and a molecular weight of 297.74 g/mol. Its IUPAC name is ethyl 2-[(4-chloro-2-hydroxybenzoyl)-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-chloro-2-hydroxybenzoyl)-prop-2-enylamino]acetate
PubChem CID78978801
Molecular FormulaC14H16ClNO4
Molecular Weight297.74 g/mol
Exact Mass297.08
IUPAC Nameethyl 2-[(4-chloro-2-hydroxybenzoyl)-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C14H16ClNO4/c1-3-7-16(9-13(18)20-4-2)14(19)11-6-5-10(15)8-12(11)17/h3,5-6,8,17H,1,4,7,9H2,2H3
InChIKeyRIMBRFFVGGUCJF-UHFFFAOYSA-N
XLogP2.24
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[(4-chloro-2-hydroxybenzoyl)-prop-2-enylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(4-hydroxy-2-methylbenzoyl)-prop-2-enylamino]acetate
CID 103874553
ethyl 2-[(3-fluoro-4-methylbenzoyl)-prop-2-enylamino]acetate
CID 78978449
ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate
CID 81013907
ethyl 2-[(1,3-dimethylpyrazole-4-carbonyl)-prop-2-enylamino]acetate
CID 113235364
ethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate
CID 78978395
ethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate
CID 113331339
ethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate
CID 79001277
2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide
CID 107988333
ethyl 2-[[4-(methylsulfanylmethyl)benzoyl]-prop-2-enylamino]acetate
CID 78978188
ethyl 2-[(4,5-dibromothiophene-2-carbonyl)-prop-2-enylamino]acetate
CID 78978746
ethyl 2-[(1-ethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate
CID 113331340
ethyl 2-[1,3-dihydro-2-benzofuran-5-carbonyl(prop-2-enyl)amino]acetate
CID 78986459

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chloro-2-hydroxybenzoyl)-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[(4-chloro-2-hydroxybenzoyl)-prop-2-enylamino]acetate (CID 78978801) is ethyl 2-[(4-chloro-2-hydroxybenzoyl)-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-chloro-2-hydroxybenzoyl)-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[(4-chloro-2-hydroxybenzoyl)-prop-2-enylamino]acetate is C=CCN(CC(=O)OCC)C(=O)c1ccc(Cl)cc1O.
What is the InChIKey of ethyl 2-[(4-chloro-2-hydroxybenzoyl)-prop-2-enylamino]acetate?
The InChIKey is RIMBRFFVGGUCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO4/c1-3-7-16(9-13(18)20-4-2)14(19)11-6-5-10(15)8-12(11)17/h3,5-6,8,17H,1,4,7,9H2,2H3.
What are the key properties of ethyl 2-[(4-chloro-2-hydroxybenzoyl)-prop-2-enylamino]acetate?
ethyl 2-[(4-chloro-2-hydroxybenzoyl)-prop-2-enylamino]acetate has a molecular weight of 297.74 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chloro-2-hydroxybenzoyl)-prop-2-enylamino]acetate is sourced from PubChem (CID 78978801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).