3-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide

C13H15FN2O2 — CID 90808912

IUPAC3-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide
SMILESCC1(C)C(c2ccc(F)cc2)C1(C(N)=O)C(N)=O
InChIInChI=1S/C13H15FN2O2/c1-12(2)9(7-3-5-8(14)6-4-7)13(12,10(15)17)11(16)18/h3-6,9H,1-2H3,(H2,15,17)(H2,16,18)
InChIKeyATDQFKTUOGRPIV-UHFFFAOYSA-N
MW250.27 g/mol
LogP0.91
Rot. Bonds3

About 3-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide

3-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide (PubChem CID 90808912) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide
PubChem CID90808912
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name3-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide
SMILESCC1(C)C(c2ccc(F)cc2)C1(C(N)=O)C(N)=O
InChIInChI=1S/C13H15FN2O2/c1-12(2)9(7-3-5-8(14)6-4-7)13(12,10(15)17)11(16)18/h3-6,9H,1-2H3,(H2,15,17)(H2,16,18)
InChIKeyATDQFKTUOGRPIV-UHFFFAOYSA-N
XLogP0.91
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 66485215
3-(4-fluorophenyl)oxirane-2-carboxamide
CID 53427164
ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 650029
ethyl 4-(4-fluorophenyl)-1-hydroxy-2-oxopyrrolidine-3-carboxylate
CID 3732923
(1S,2S,3S)-3-amino-2-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 22885763
methyl (4R,5S)-5-(4-fluorophenyl)-2-methoxy-2-methyl-1,3-dioxolane-4-carboxylate
CID 15276470
ethyl (3S,4R)-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate
CID 11391819
methyl 2-[5-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-1-yl]acetate
CID 115945837
trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 13416169
4,5,9,10-tetrakis(4-fluorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione
CID 122374958
chloromethane;4-fluorobenzamide
CID 158476805
1-(2,2-dichloro-3,3-difluorocyclopropyl)-4-fluorobenzene
CID 101056231

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 3-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide (CID 90808912) is 3-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide is CC1(C)C(c2ccc(F)cc2)C1(C(N)=O)C(N)=O.
What is the InChIKey of 3-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide?
The InChIKey is ATDQFKTUOGRPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-12(2)9(7-3-5-8(14)6-4-7)13(12,10(15)17)11(16)18/h3-6,9H,1-2H3,(H2,15,17)(H2,16,18).
What are the key properties of 3-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide?
3-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide has a molecular weight of 250.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 90808912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).