1-N'-butan-2-yl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide

C15H19FN2O2 — CID 108971473

IUPAC1-N'-butan-2-yl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCCC(C)NC(=O)C1(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C15H19FN2O2/c1-3-10(2)17-13(19)15(8-9-15)14(20)18-12-7-5-4-6-11(12)16/h4-7,10H,3,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyBQRNPDZJORLUQZ-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.46
Rot. Bonds5

About 1-N'-butan-2-yl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide

1-N'-butan-2-yl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108971473) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-N'-butan-2-yl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-butan-2-yl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108971473
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name1-N'-butan-2-yl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCCC(C)NC(=O)C1(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C15H19FN2O2/c1-3-10(2)17-13(19)15(8-9-15)14(20)18-12-7-5-4-6-11(12)16/h4-7,10H,3,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyBQRNPDZJORLUQZ-UHFFFAOYSA-N
XLogP2.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.46
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

1-N'-butan-2-yl-1-N-(2,3-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108971543
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
1-N',1-N'-diethyl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108979078
1-N'-butan-2-yl-1-N-(3-chloro-4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108971482
ethyl 2-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108982356
1-N'-(2-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982309
1-N'-butan-2-yl-1-N-(5-chloro-2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108971485
3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109051535
1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980761
N-butan-2-yl-2-(2-fluoroanilino)propanamide
CID 43113405
1-N'-(2-fluorophenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976690
1-N-(2-fluorophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108982341

Frequently Asked Questions

What is the IUPAC name of 1-N'-butan-2-yl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-butan-2-yl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 108971473) is 1-N'-butan-2-yl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-butan-2-yl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-butan-2-yl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide is CCC(C)NC(=O)C1(C(=O)Nc2ccccc2F)CC1.
What is the InChIKey of 1-N'-butan-2-yl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is BQRNPDZJORLUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-3-10(2)17-13(19)15(8-9-15)14(20)18-12-7-5-4-6-11(12)16/h4-7,10H,3,8-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 1-N'-butan-2-yl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N'-butan-2-yl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-butan-2-yl-1-N-(2-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108971473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).