4-(3-fluoroanilino)-4-oxobut-2-enoate

C10H7FNO3- — CID 4281248

IUPAC4-(3-fluoroanilino)-4-oxobut-2-enoate
SMILESO=C([O-])C=CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C10H8FNO3/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(14)15/h1-6H,(H,12,13)(H,14,15)/p-1
InChIKeyFJNNPZCSFCJFME-UHFFFAOYSA-M
MW208.17 g/mol
LogP0.07
Rot. Bonds3

About 4-(3-fluoroanilino)-4-oxobut-2-enoate

4-(3-fluoroanilino)-4-oxobut-2-enoate (PubChem CID 4281248) has the molecular formula C10H7FNO3- and a molecular weight of 208.17 g/mol. Its IUPAC name is 4-(3-fluoroanilino)-4-oxobut-2-enoate.

Molecular Properties

Compound Name4-(3-fluoroanilino)-4-oxobut-2-enoate
PubChem CID4281248
Molecular FormulaC10H7FNO3-
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name4-(3-fluoroanilino)-4-oxobut-2-enoate
SMILESO=C([O-])C=CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C10H8FNO3/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(14)15/h1-6H,(H,12,13)(H,14,15)/p-1
InChIKeyFJNNPZCSFCJFME-UHFFFAOYSA-M
XLogP0.07
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.07
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

(E)-3-(2-fluorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 8761062
(E)-3-(3,4-dihydroxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 46907512
4-(3,4-dichloroanilino)-4-oxobut-2-enoate
CID 4065684
(E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 785785
(E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 9072399
(E)-3-(2,4-dichlorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 872620
(3-fluorophenyl)carbamic acid;hydrochloride
CID 70589934
N-(3-fluorophenyl)carbamoyl iodide
CID 143189904
N,N'-bis(3-hydroxyphenyl)but-2-enediamide
CID 754651
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
(Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]anilino]-4-oxobut-2-enoic acid;hydroiodide
CID 87259063
(E)-N-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 29110301

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroanilino)-4-oxobut-2-enoate?
The IUPAC name of 4-(3-fluoroanilino)-4-oxobut-2-enoate (CID 4281248) is 4-(3-fluoroanilino)-4-oxobut-2-enoate.
What is the SMILES notation for 4-(3-fluoroanilino)-4-oxobut-2-enoate?
The canonical SMILES for 4-(3-fluoroanilino)-4-oxobut-2-enoate is O=C([O-])C=CC(=O)Nc1cccc(F)c1.
What is the InChIKey of 4-(3-fluoroanilino)-4-oxobut-2-enoate?
The InChIKey is FJNNPZCSFCJFME-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8FNO3/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(14)15/h1-6H,(H,12,13)(H,14,15)/p-1.
What are the key properties of 4-(3-fluoroanilino)-4-oxobut-2-enoate?
4-(3-fluoroanilino)-4-oxobut-2-enoate has a molecular weight of 208.17 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroanilino)-4-oxobut-2-enoate is sourced from PubChem (CID 4281248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).