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

C24H27FN2O2 — CID 109149108

IUPAC4-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1CCC(C(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C24H27FN2O2/c25-21-11-5-17(6-12-21)13-15-26-23(28)19-7-9-20(10-8-19)24(29)27-16-14-18-3-1-2-4-22(18)27/h1-6,11-12,19-20H,7-10,13-16H2,(H,26,28)
InChIKeyBGHJFFRROPYQPO-UHFFFAOYSA-N
MW394.49 g/mol
LogP3.88
Rot. Bonds5

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

4-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 109149108) has the molecular formula C24H27FN2O2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 4-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID109149108
Molecular FormulaC24H27FN2O2
Molecular Weight394.49 g/mol
Exact Mass394.21
IUPAC Name4-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1CCC(C(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C24H27FN2O2/c25-21-11-5-17(6-12-21)13-15-26-23(28)19-7-9-20(10-8-19)24(29)27-16-14-18-3-1-2-4-22(18)27/h1-6,11-12,19-20H,7-10,13-16H2,(H,26,28)
InChIKeyBGHJFFRROPYQPO-UHFFFAOYSA-N
XLogP3.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 109137724
N-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide
CID 109150603
N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146241
2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926284
2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
CID 109192418
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46963818
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 109148161
N-[2-(4-fluorophenyl)ethyl]-1-(oxane-4-carbonyl)piperidine-4-carboxamide
CID 113004684
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 16769811
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
1-[4-[(3S)-3,4-bis[2-(4-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carbonyl]cyclohexanecarbonyl]-3-N,4-N-bis[2-(4-fluorophenyl)ethyl]pyrrolidine-3,4-dicarboxamide
CID 145434388
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119263949

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide (CID 109149108) is 4-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide is O=C(NCCc1ccc(F)cc1)C1CCC(C(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of 4-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is BGHJFFRROPYQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2/c25-21-11-5-17(6-12-21)13-15-26-23(28)19-7-9-20(10-8-19)24(29)27-16-14-18-3-1-2-4-22(18)27/h1-6,11-12,19-20H,7-10,13-16H2,(H,26,28).
What are the key properties of 4-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
4-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 394.49 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindole-1-carbonyl)-N-[2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 109149108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).