1-(4-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopropane-1-carboxamide

C21H21FN2O2 — CID 124760857

IUPAC1-(4-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopropane-1-carboxamide
SMILESCn1ccc2cc([C@@H](O)CNC(=O)C3(c4ccc(F)cc4)CC3)ccc21
InChIInChI=1S/C21H21FN2O2/c1-24-11-8-14-12-15(2-7-18(14)24)19(25)13-23-20(26)21(9-10-21)16-3-5-17(22)6-4-16/h2-8,11-12,19,25H,9-10,13H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyPZHSETLFJRFWCE-IBGZPJMESA-N
MW352.41 g/mol
LogP3.20
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 124760857) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID124760857
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name1-(4-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopropane-1-carboxamide
SMILESCn1ccc2cc([C@@H](O)CNC(=O)C3(c4ccc(F)cc4)CC3)ccc21
InChIInChI=1S/C21H21FN2O2/c1-24-11-8-14-12-15(2-7-18(14)24)19(25)13-23-20(26)21(9-10-21)16-3-5-17(22)6-4-16/h2-8,11-12,19,25H,9-10,13H2,1H3,(H,23,26)/t19-/m0/s1
InChIKeyPZHSETLFJRFWCE-IBGZPJMESA-N
XLogP3.20
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-[2-(3,5-dimethyl-phenyl)-3-((S)-2-{2-[2-(1-hydroxy-ethyl)-pyridin-4-yl]-ethylamino}-1-methyl-ethyl)-1H-indol-5-yl]-2-methyl-propan-1-one
CID 44340928
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1-(3-methoxypropyl)indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 57392013
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-7-(3-methoxypropyl)-1H-indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 57397295
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[[4-fluoro-1,7-bis(3-methoxypropyl)indol-3-yl]methyl]-4-hydroxypiperidine-3-carboxamide
CID 57397296
AY 28925
CID 127940
(1S,2R)-1-(3-fluorophenyl)-1-(5-methyl-1H-indol-1-yl)-3-(methylamino)propan-2-ol
CID 45483069
1-[(2,5-difluorophenyl)methyl]-5-(1-methylcyclopropyl)-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid
CID 56951109
5-[1-Hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-1-methylindole-7-carboxamide
CID 13621579
(R,S)-3-(3-(2,3-dihydroxypropyl)phenyl)-4-(5-fluoro-1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 46880335
1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]indole-5-carboxamide
CID 164621461
N-cyclopropyl-2-(2-(3,5-dimethylphenyl)-1-(2-hydroxypropyl)-1H-indol-5-yl)-2-methylpropanamide
CID 25101067
2-(2-(3,5-dimethylphenyl)-1-(2-hydroxypropyl)-1H-indol-5-yl)-N-ethyl-2-methylpropanamide
CID 25101216

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopropane-1-carboxamide (CID 124760857) is 1-(4-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopropane-1-carboxamide is Cn1ccc2cc([C@@H](O)CNC(=O)C3(c4ccc(F)cc4)CC3)ccc21.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is PZHSETLFJRFWCE-IBGZPJMESA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-24-11-8-14-12-15(2-7-18(14)24)19(25)13-23-20(26)21(9-10-21)16-3-5-17(22)6-4-16/h2-8,11-12,19,25H,9-10,13H2,1H3,(H,23,26)/t19-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 124760857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).