N-(4-fluorophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide

C20H19FN2O2 — CID 108982421

IUPACN-(4-fluorophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)C1(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C20H19FN2O2/c1-13-12-14-4-2-3-5-17(14)23(13)19(25)20(10-11-20)18(24)22-16-8-6-15(21)7-9-16/h2-9,13H,10-12H2,1H3,(H,22,24)
InChIKeyPNBHFKKVEFSJCI-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.52
Rot. Bonds3

About N-(4-fluorophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide

N-(4-fluorophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108982421) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108982421
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC NameN-(4-fluorophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
SMILESCC1Cc2ccccc2N1C(=O)C1(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C20H19FN2O2/c1-13-12-14-4-2-3-5-17(14)23(13)19(25)20(10-11-20)18(24)22-16-8-6-15(21)7-9-16/h2-9,13H,10-12H2,1H3,(H,22,24)
InChIKeyPNBHFKKVEFSJCI-UHFFFAOYSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.52
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

N-(4-bromophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108982936
1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 55034928
N-(2-ethoxyphenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108983131
N-cycloheptyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108979533
[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 108971730
3,4-dihydro-2H-quinolin-1-yl-[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]methanone
CID 108981201
1-N,1-N'-bis(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N,1-N'-diphenylcyclopropane-1,1-dicarboxamide;ethane
CID 159939709
1-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108975178
N-[2-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108902174
[5-(4-fluoroanilino)pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109292582
N-[2-(3-chlorophenyl)ethyl]-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108980393
2-(4-fluorophenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 113197482

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide (CID 108982421) is N-(4-fluorophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide is CC1Cc2ccccc2N1C(=O)C1(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is PNBHFKKVEFSJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-13-12-14-4-2-3-5-17(14)23(13)19(25)20(10-11-20)18(24)22-16-8-6-15(21)7-9-16/h2-9,13H,10-12H2,1H3,(H,22,24).
What are the key properties of N-(4-fluorophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide?
N-(4-fluorophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108982421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).