ethyl 4-[(4-fluorobenzoyl)amino]-2-methylidenebutanoate

C14H16FNO3 — CID 177290717

IUPACethyl 4-[(4-fluorobenzoyl)amino]-2-methylidenebutanoate
SMILESC=C(CCNC(=O)c1ccc(F)cc1)C(=O)OCC
InChIInChI=1S/C14H16FNO3/c1-3-19-14(18)10(2)8-9-16-13(17)11-4-6-12(15)7-5-11/h4-7H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyRRSFYWUEDVZKOU-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.06
Rot. Bonds6

About ethyl 4-[(4-fluorobenzoyl)amino]-2-methylidenebutanoate

ethyl 4-[(4-fluorobenzoyl)amino]-2-methylidenebutanoate (PubChem CID 177290717) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is ethyl 4-[(4-fluorobenzoyl)amino]-2-methylidenebutanoate.

Molecular Properties

Compound Nameethyl 4-[(4-fluorobenzoyl)amino]-2-methylidenebutanoate
PubChem CID177290717
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Nameethyl 4-[(4-fluorobenzoyl)amino]-2-methylidenebutanoate
SMILESC=C(CCNC(=O)c1ccc(F)cc1)C(=O)OCC
InChIInChI=1S/C14H16FNO3/c1-3-19-14(18)10(2)8-9-16-13(17)11-4-6-12(15)7-5-11/h4-7H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyRRSFYWUEDVZKOU-UHFFFAOYSA-N
XLogP2.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.06
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

4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-(2-aminooxyethyl)-4-fluorobenzamide
CID 39239976
4-fluoro-N-(2-fluoroethyl)benzamide
CID 130478179
N-[3-(tert-butylamino)-3-oxopropyl]-4-fluorobenzamide
CID 47365751
N-[2-[[(2R)-2-aminopropanoyl]amino]ethyl]-4-fluorobenzamide
CID 119299559
ethyl 3-(4-fluorophenyl)-2-hydroxybut-3-enoate
CID 121013432
ethyl 7-benzamido-4,4-dimethyl-2-methylideneheptanoate
CID 162408957
prop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate
CID 108570849
ethyl [4-[3-[[2-(4-fluorophenyl)acetyl]amino]propylcarbamoyl]phenyl] carbonate
CID 108932260
N-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-fluorobenzamide
CID 110716409
ethyl 2-[(4-fluorobenzoyl)amino]-2-hydroxyacetate
CID 122388095
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-fluorobenzoyl)amino]-2-methylidenebutanoate?
The IUPAC name of ethyl 4-[(4-fluorobenzoyl)amino]-2-methylidenebutanoate (CID 177290717) is ethyl 4-[(4-fluorobenzoyl)amino]-2-methylidenebutanoate.
What is the SMILES notation for ethyl 4-[(4-fluorobenzoyl)amino]-2-methylidenebutanoate?
The canonical SMILES for ethyl 4-[(4-fluorobenzoyl)amino]-2-methylidenebutanoate is C=C(CCNC(=O)c1ccc(F)cc1)C(=O)OCC.
What is the InChIKey of ethyl 4-[(4-fluorobenzoyl)amino]-2-methylidenebutanoate?
The InChIKey is RRSFYWUEDVZKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-3-19-14(18)10(2)8-9-16-13(17)11-4-6-12(15)7-5-11/h4-7H,2-3,8-9H2,1H3,(H,16,17).
What are the key properties of ethyl 4-[(4-fluorobenzoyl)amino]-2-methylidenebutanoate?
ethyl 4-[(4-fluorobenzoyl)amino]-2-methylidenebutanoate has a molecular weight of 265.28 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-fluorobenzoyl)amino]-2-methylidenebutanoate is sourced from PubChem (CID 177290717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).