N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-fluoroanilino)acetamide

C15H18FN3O — CID 3570493

IUPACN-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-fluoroanilino)acetamide
SMILESO=C(CNc1ccc(F)cc1)NN=CC1CC=CCC1
InChIInChI=1S/C15H18FN3O/c16-13-6-8-14(9-7-13)17-11-15(20)19-18-10-12-4-2-1-3-5-12/h1-2,6-10,12,17H,3-5,11H2,(H,19,20)
InChIKeyJRCKEKIWVKBYFH-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.70
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-fluoroanilino)acetamide

N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-fluoroanilino)acetamide (PubChem CID 3570493) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-fluoroanilino)acetamide
PubChem CID3570493
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-fluoroanilino)acetamide
SMILESO=C(CNc1ccc(F)cc1)NN=CC1CC=CCC1
InChIInChI=1S/C15H18FN3O/c16-13-6-8-14(9-7-13)17-11-15(20)19-18-10-12-4-2-1-3-5-12/h1-2,6-10,12,17H,3-5,11H2,(H,19,20)
InChIKeyJRCKEKIWVKBYFH-UHFFFAOYSA-N
XLogP2.70
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-fluoroanilino)acetamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-fluoroanilino)acetamide (CID 3570493) is N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-fluoroanilino)acetamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-fluoroanilino)acetamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-fluoroanilino)acetamide is O=C(CNc1ccc(F)cc1)NN=CC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-fluoroanilino)acetamide?
The InChIKey is JRCKEKIWVKBYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c16-13-6-8-14(9-7-13)17-11-15(20)19-18-10-12-4-2-1-3-5-12/h1-2,6-10,12,17H,3-5,11H2,(H,19,20).
What are the key properties of N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-fluoroanilino)acetamide?
N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-fluoroanilino)acetamide has a molecular weight of 275.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-fluoroanilino)acetamide is sourced from PubChem (CID 3570493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).