2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide

C13H12FN3O2 — CID 5404241

IUPAC2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
SMILESO=C(CNc1ccc(F)cc1)N/N=C\c1ccco1
InChIInChI=1S/C13H12FN3O2/c14-10-3-5-11(6-4-10)15-9-13(18)17-16-8-12-2-1-7-19-12/h1-8,15H,9H2,(H,17,18)/b16-8-
InChIKeyVOVBGKNYBVNZJZ-PXNMLYILSA-N
MW261.26 g/mol
LogP1.98
Rot. Bonds5

About 2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide

2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide (PubChem CID 5404241) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
PubChem CID5404241
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
SMILESO=C(CNc1ccc(F)cc1)N/N=C\c1ccco1
InChIInChI=1S/C13H12FN3O2/c14-10-3-5-11(6-4-10)15-9-13(18)17-16-8-12-2-1-7-19-12/h1-8,15H,9H2,(H,17,18)/b16-8-
InChIKeyVOVBGKNYBVNZJZ-PXNMLYILSA-N
XLogP1.98
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-anilino-N-(furan-2-ylmethylideneamino)acetamide
CID 3757182
2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5404211
2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5426354
2-(4-fluorophenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5368979
2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide
CID 6039229
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
3-fluoro-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
CID 5333730
N-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 2356638
2-(4-fluoroanilino)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 2344438
N-[(4-fluorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376291
3-fluoro-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6895117

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide (CID 5404241) is 2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide is O=C(CNc1ccc(F)cc1)N/N=C\c1ccco1.
What is the InChIKey of 2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
The InChIKey is VOVBGKNYBVNZJZ-PXNMLYILSA-N. The full InChI is InChI=1S/C13H12FN3O2/c14-10-3-5-11(6-4-10)15-9-13(18)17-16-8-12-2-1-7-19-12/h1-8,15H,9H2,(H,17,18)/b16-8-.
What are the key properties of 2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide has a molecular weight of 261.26 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 5404241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).