1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide

C16H21FN2O2 — CID 108979827

IUPAC1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
SMILESCCCCCNC(=O)C1(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C16H21FN2O2/c1-2-3-4-10-18-14(20)16(8-9-16)15(21)19-13-7-5-6-12(17)11-13/h5-7,11H,2-4,8-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyRCXHDRNYYBMTOX-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.85
Rot. Bonds7

About 1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide

1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide (PubChem CID 108979827) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
PubChem CID108979827
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
SMILESCCCCCNC(=O)C1(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C16H21FN2O2/c1-2-3-4-10-18-14(20)16(8-9-16)15(21)19-13-7-5-6-12(17)11-13/h5-7,11H,2-4,8-10H2,1H3,(H,18,20)(H,19,21)
InChIKeyRCXHDRNYYBMTOX-UHFFFAOYSA-N
XLogP2.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(3-acetamidophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979810
1-N'-(3-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979795
1-N'-(2,6-difluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979858
1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971062
methyl 3-[[1-(butylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 108971120
1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982541
1-N'-(4-chlorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979783
1-N-(3-fluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
CID 108980311
1-N-(4-bromophenyl)-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982934
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-pentylacetamide
CID 8691027
1-N-[(3,4-dimethoxyphenyl)methyl]-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108978469
1-N'-(3-chloro-2-methylphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979784

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide (CID 108979827) is 1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide is CCCCCNC(=O)C1(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
The InChIKey is RCXHDRNYYBMTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-2-3-4-10-18-14(20)16(8-9-16)15(21)19-13-7-5-6-12(17)11-13/h5-7,11H,2-4,8-10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide?
1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide has a molecular weight of 292.35 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).