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

C17H23FN2O2 — CID 108980311

IUPAC1-N-(3-fluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
SMILESCCCN(CCC)C(=O)C1(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C17H23FN2O2/c1-3-10-20(11-4-2)16(22)17(8-9-17)15(21)19-14-7-5-6-13(18)12-14/h5-7,12H,3-4,8-11H2,1-2H3,(H,19,21)
InChIKeyNHUJZYMRJXEQCX-UHFFFAOYSA-N
MW306.38 g/mol
LogP3.19
Rot. Bonds7

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

1-N-(3-fluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide (PubChem CID 108980311) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-N-(3-fluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-fluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
PubChem CID108980311
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name1-N-(3-fluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
SMILESCCCN(CCC)C(=O)C1(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C17H23FN2O2/c1-3-10-20(11-4-2)16(22)17(8-9-17)15(21)19-14-7-5-6-13(18)12-14/h5-7,12H,3-4,8-11H2,1-2H3,(H,19,21)
InChIKeyNHUJZYMRJXEQCX-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
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-(2,4-difluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
CID 108980321
1-N'-ethyl-1-N-(3-fluorophenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983655
1-N'-(3-fluorophenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979827
1-N-(4-methoxyphenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
CID 108980280
1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982541
2-[acetyl(propyl)amino]-N-(3-fluorophenyl)acetamide
CID 113158063
1-N-(4-bromophenyl)-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982934
1-N-(3-fluorophenyl)-4-N,4-N-dipropylbenzene-1,4-dicarboxamide
CID 109049096
1-N-(3-fluorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056649
1-N-[2-(4-fluorophenyl)ethyl]-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide
CID 108977470
methyl 2-[(3-fluorophenyl)carbamoyl-propylamino]acetate
CID 55006210
1-N'-(3-cyanophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983653

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-fluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(3-fluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide (CID 108980311) is 1-N-(3-fluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(3-fluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(3-fluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide is CCCN(CCC)C(=O)C1(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 1-N-(3-fluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide?
The InChIKey is NHUJZYMRJXEQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-3-10-20(11-4-2)16(22)17(8-9-17)15(21)19-14-7-5-6-13(18)12-14/h5-7,12H,3-4,8-11H2,1-2H3,(H,19,21).
What are the key properties of 1-N-(3-fluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide?
1-N-(3-fluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide has a molecular weight of 306.38 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-fluorophenyl)-1-N',1-N'-dipropylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108980311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).