1-N'-[(4-fluorophenyl)methyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide

C15H17FN2O2 — CID 108970806

IUPAC1-N'-[(4-fluorophenyl)methyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
SMILESC=CCNC(=O)C1(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H17FN2O2/c1-2-9-17-13(19)15(7-8-15)14(20)18-10-11-3-5-12(16)6-4-11/h2-6H,1,7-10H2,(H,17,19)(H,18,20)
InChIKeyITYRSPPOZHWNMK-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.52
Rot. Bonds6

About 1-N'-[(4-fluorophenyl)methyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide

1-N'-[(4-fluorophenyl)methyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide (PubChem CID 108970806) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 1-N'-[(4-fluorophenyl)methyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[(4-fluorophenyl)methyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
PubChem CID108970806
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name1-N'-[(4-fluorophenyl)methyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
SMILESC=CCNC(=O)C1(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H17FN2O2/c1-2-9-17-13(19)15(7-8-15)14(20)18-10-11-3-5-12(16)6-4-11/h2-6H,1,7-10H2,(H,17,19)(H,18,20)
InChIKeyITYRSPPOZHWNMK-UHFFFAOYSA-N
XLogP1.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970891
1-N'-tert-butyl-1-N-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975813
1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80592729
1-[(4-fluorophenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097119
1-N-[(4-fluorophenyl)methyl]-1-N'-[(3-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975053
1-N'-(2,6-dichlorophenyl)-1-N-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975902
1-N'-(4-ethylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970880
ethyl 1-[(4-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate
CID 44541628
1-N'-(1,3-benzodioxol-5-ylmethyl)-1-N-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975780
1-N'-(2-bromophenyl)-1-N-[(4-fluorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975890
1-carbamothioyl-N-[(4-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 55037907
1-N-[(4-fluorophenyl)methyl]-1-N'-[2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108975874

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(4-fluorophenyl)methyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[(4-fluorophenyl)methyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide (CID 108970806) is 1-N'-[(4-fluorophenyl)methyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[(4-fluorophenyl)methyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[(4-fluorophenyl)methyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide is C=CCNC(=O)C1(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-N'-[(4-fluorophenyl)methyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide?
The InChIKey is ITYRSPPOZHWNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-2-9-17-13(19)15(7-8-15)14(20)18-10-11-3-5-12(16)6-4-11/h2-6H,1,7-10H2,(H,17,19)(H,18,20).
What are the key properties of 1-N'-[(4-fluorophenyl)methyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide?
1-N'-[(4-fluorophenyl)methyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide has a molecular weight of 276.31 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(4-fluorophenyl)methyl]-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108970806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).