2-N-butyl-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide

C15H19FN2O2 — CID 109131322

IUPAC2-N-butyl-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
SMILESCCCCNC(=O)C1CC1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O2/c1-2-3-8-17-14(19)12-9-13(12)15(20)18-11-6-4-10(16)5-7-11/h4-7,12-13H,2-3,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyHXBVXBYWPILZLO-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.32
Rot. Bonds6

About 2-N-butyl-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide

2-N-butyl-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109131322) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-N-butyl-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109131322
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name2-N-butyl-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
SMILESCCCCNC(=O)C1CC1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H19FN2O2/c1-2-3-8-17-14(19)12-9-13(12)15(20)18-11-6-4-10(16)5-7-11/h4-7,12-13H,2-3,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyHXBVXBYWPILZLO-UHFFFAOYSA-N
XLogP2.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109140027
2-N-butyl-1-N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109131383
1-N-(3-fluorophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130579
1-N-[2-(4-fluorophenyl)ethyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130460
4-ethyl-2-[(4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511373
2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133163
1-N-(4-fluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137244
1-N-(4-chlorophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide
CID 109134057
2-N-butyl-1-N-(2,3-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131309
methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109136126
1-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133203
1-N-(3,4-difluorophenyl)-2-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142798

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-butyl-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide (CID 109131322) is 2-N-butyl-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-butyl-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-butyl-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide is CCCCNC(=O)C1CC1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-N-butyl-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is HXBVXBYWPILZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-2-3-8-17-14(19)12-9-13(12)15(20)18-11-6-4-10(16)5-7-11/h4-7,12-13H,2-3,8-9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-N-butyl-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide?
2-N-butyl-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109131322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).