N-(4-fluorophenyl)-1-propanoylcyclopropane-1-carboxamide

C13H14FNO2 — CID 165143774

IUPACN-(4-fluorophenyl)-1-propanoylcyclopropane-1-carboxamide
SMILESCCC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C13H14FNO2/c1-2-11(16)13(7-8-13)12(17)15-10-5-3-9(14)4-6-10/h3-6H,2,7-8H2,1H3,(H,15,17)
InChIKeyNARFXKGODMFCPV-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.52
Rot. Bonds4

About N-(4-fluorophenyl)-1-propanoylcyclopropane-1-carboxamide

N-(4-fluorophenyl)-1-propanoylcyclopropane-1-carboxamide (PubChem CID 165143774) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-propanoylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-propanoylcyclopropane-1-carboxamide
PubChem CID165143774
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC NameN-(4-fluorophenyl)-1-propanoylcyclopropane-1-carboxamide
SMILESCCC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C13H14FNO2/c1-2-11(16)13(7-8-13)12(17)15-10-5-3-9(14)4-6-10/h3-6H,2,7-8H2,1H3,(H,15,17)
InChIKeyNARFXKGODMFCPV-UHFFFAOYSA-N
XLogP2.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.52
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,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane
CID 159939709
ethane;1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 142389923
1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 58987988
1-N'-(4-fluorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982390
1-N'-(4-fluorophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970891
1-N'-(2-ethoxyphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982380
1-N'-(4-fluorophenyl)-1-N-(4-sulfanyloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 144712460
1-N'-[4-(dimethylamino)phenyl]-1-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977531
1-N'-(4-chloro-3-propan-2-ylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 170149362
3-[(4-fluorophenyl)carbamoyl]oxetane-3-carboxylic acid
CID 71282833
1-N'-(2-chloro-4,6-dimethylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982372
1-N-(4-fluorophenyl)-1-N'-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982389

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-propanoylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-propanoylcyclopropane-1-carboxamide (CID 165143774) is N-(4-fluorophenyl)-1-propanoylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-propanoylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-propanoylcyclopropane-1-carboxamide is CCC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-1-propanoylcyclopropane-1-carboxamide?
The InChIKey is NARFXKGODMFCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-2-11(16)13(7-8-13)12(17)15-10-5-3-9(14)4-6-10/h3-6H,2,7-8H2,1H3,(H,15,17).
What are the key properties of N-(4-fluorophenyl)-1-propanoylcyclopropane-1-carboxamide?
N-(4-fluorophenyl)-1-propanoylcyclopropane-1-carboxamide has a molecular weight of 235.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-propanoylcyclopropane-1-carboxamide is sourced from PubChem (CID 165143774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).