ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate

C15H18FNO4 — CID 81013907

IUPACethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C15H18FNO4/c1-4-8-17(10-14(18)21-5-2)15(19)11-6-7-12(16)13(9-11)20-3/h4,6-7,9H,1,5,8,10H2,2-3H3
InChIKeyWYWXLICXSXAVOU-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.03
Rot. Bonds7

About ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate

ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate (PubChem CID 81013907) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate
PubChem CID81013907
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Nameethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C15H18FNO4/c1-4-8-17(10-14(18)21-5-2)15(19)11-6-7-12(16)13(9-11)20-3/h4,6-7,9H,1,5,8,10H2,2-3H3
InChIKeyWYWXLICXSXAVOU-UHFFFAOYSA-N
XLogP2.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(3-fluoro-4-methylbenzoyl)-prop-2-enylamino]acetate
CID 78978449
2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid
CID 79264534
ethyl 2-[1,3-dihydro-2-benzofuran-5-carbonyl(prop-2-enyl)amino]acetate
CID 78986459
ethyl 2-[3H-benzimidazole-5-carbonyl(prop-2-enyl)amino]acetate
CID 115538918
ethyl 2-[[4-(methylsulfanylmethyl)benzoyl]-prop-2-enylamino]acetate
CID 78978188
ethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate
CID 78978395
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-4-fluoro-3-methoxybenzamide
CID 81284884
ethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate
CID 113411906
ethyl 2-[(4-chloro-2-hydroxybenzoyl)-prop-2-enylamino]acetate
CID 78978801
ethyl 2-[(4-hydroxy-2-methylbenzoyl)-prop-2-enylamino]acetate
CID 103874553
ethyl 4-(4-fluoro-3-methoxyphenyl)-4-oxobutanoate
CID 114016246
4-fluoro-3-methoxy-N-prop-2-enylbenzamide
CID 80948629

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate?
The IUPAC name of ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate (CID 81013907) is ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate?
The canonical SMILES for ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate is C=CCN(CC(=O)OCC)C(=O)c1ccc(F)c(OC)c1.
What is the InChIKey of ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate?
The InChIKey is WYWXLICXSXAVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-4-8-17(10-14(18)21-5-2)15(19)11-6-7-12(16)13(9-11)20-3/h4,6-7,9H,1,5,8,10H2,2-3H3.
What are the key properties of ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate?
ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate has a molecular weight of 295.31 g/mol, XLogP of 2.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate is sourced from PubChem (CID 81013907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).