2-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide

C21H21FN2O2 — CID 109137724

IUPAC2-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1CC1C(=O)N1CCc2ccccc21
InChIInChI=1S/C21H21FN2O2/c22-16-7-5-14(6-8-16)9-11-23-20(25)17-13-18(17)21(26)24-12-10-15-3-1-2-4-19(15)24/h1-8,17-18H,9-13H2,(H,23,25)
InChIKeyRTMRLZJVACHZJS-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.71
Rot. Bonds5

About 2-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide

2-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 109137724) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID109137724
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name2-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1CC1C(=O)N1CCc2ccccc21
InChIInChI=1S/C21H21FN2O2/c22-16-7-5-14(6-8-16)9-11-23-20(25)17-13-18(17)21(26)24-12-10-15-3-1-2-4-19(15)24/h1-8,17-18H,9-13H2,(H,23,25)
InChIKeyRTMRLZJVACHZJS-UHFFFAOYSA-N
XLogP2.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 109149108
2-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxypropyl)cyclopropane-1-carboxamide
CID 109133165
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 109141427
2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 109137070
2-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60792833
cis-(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylate
CID 7101560
2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109136915
2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
CID 109192418
1-N-[2-(4-fluorophenyl)ethyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130460
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(2-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 109135933
trans-(1R,2R)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 7101559
N-(3,4-difluorophenyl)-2-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 109141406

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide (CID 109137724) is 2-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide is O=C(NCCc1ccc(F)cc1)C1CC1C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is RTMRLZJVACHZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c22-16-7-5-14(6-8-16)9-11-23-20(25)17-13-18(17)21(26)24-12-10-15-3-1-2-4-19(15)24/h1-8,17-18H,9-13H2,(H,23,25).
What are the key properties of 2-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide?
2-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 109137724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).