ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]cyclopenta-1,3-diene-1-carboxylate

C16H16FNO3 — CID 160588686

IUPACethyl 2-[[2-(4-fluorophenyl)acetyl]amino]cyclopenta-1,3-diene-1-carboxylate
SMILESCCOC(=O)C1=C(NC(=O)Cc2ccc(F)cc2)C=CC1
InChIInChI=1S/C16H16FNO3/c1-2-21-16(20)13-4-3-5-14(13)18-15(19)10-11-6-8-12(17)9-7-11/h3,5-9H,2,4,10H2,1H3,(H,18,19)
InChIKeyRCSNRSDOIMYUTP-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.26
Rot. Bonds5

About ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]cyclopenta-1,3-diene-1-carboxylate

ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]cyclopenta-1,3-diene-1-carboxylate (PubChem CID 160588686) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]cyclopenta-1,3-diene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-fluorophenyl)acetyl]amino]cyclopenta-1,3-diene-1-carboxylate
PubChem CID160588686
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Nameethyl 2-[[2-(4-fluorophenyl)acetyl]amino]cyclopenta-1,3-diene-1-carboxylate
SMILESCCOC(=O)C1=C(NC(=O)Cc2ccc(F)cc2)C=CC1
InChIInChI=1S/C16H16FNO3/c1-2-21-16(20)13-4-3-5-14(13)18-15(19)10-11-6-8-12(17)9-7-11/h3,5-9H,2,4,10H2,1H3,(H,18,19)
InChIKeyRCSNRSDOIMYUTP-UHFFFAOYSA-N
XLogP2.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-1H-pyrrole-2-carboxylate
CID 67052946
ethyl 4-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7759306
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
ethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-oxopropanoate
CID 159126386
ethyl 4-[(4-fluorophenyl)methyl]benzoate
CID 71541120
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
[2-(4-fluoroanilino)-2-oxoethyl] 2-(4-ethoxyphenyl)acetate
CID 71820864
N'-[2-(2-ethoxyphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656633
ethyl 4-(ethoxycarbonylcarbamoyl)-5-[[2-(4-fluorophenyl)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 41099914
ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 7597186
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl 4-[[3-[2-(4-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948485

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]cyclopenta-1,3-diene-1-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]cyclopenta-1,3-diene-1-carboxylate (CID 160588686) is ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]cyclopenta-1,3-diene-1-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]cyclopenta-1,3-diene-1-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]cyclopenta-1,3-diene-1-carboxylate is CCOC(=O)C1=C(NC(=O)Cc2ccc(F)cc2)C=CC1.
What is the InChIKey of ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]cyclopenta-1,3-diene-1-carboxylate?
The InChIKey is RCSNRSDOIMYUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-2-21-16(20)13-4-3-5-14(13)18-15(19)10-11-6-8-12(17)9-7-11/h3,5-9H,2,4,10H2,1H3,(H,18,19).
What are the key properties of ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]cyclopenta-1,3-diene-1-carboxylate?
ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]cyclopenta-1,3-diene-1-carboxylate has a molecular weight of 289.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-fluorophenyl)acetyl]amino]cyclopenta-1,3-diene-1-carboxylate is sourced from PubChem (CID 160588686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).