3-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide

C18H18FN3O — CID 23140046

IUPAC3-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CC(N2CCc3ccccc32)C1
InChIInChI=1S/C18H18FN3O/c19-15-6-2-3-7-16(15)20-18(23)21-11-14(12-21)22-10-9-13-5-1-4-8-17(13)22/h1-8,14H,9-12H2,(H,20,23)
InChIKeyPKTUGJGRGNVJHC-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.10
Rot. Bonds2

About 3-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide

3-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide (PubChem CID 23140046) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
PubChem CID23140046
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name3-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CC(N2CCc3ccccc32)C1
InChIInChI=1S/C18H18FN3O/c19-15-6-2-3-7-16(15)20-18(23)21-11-14(12-21)22-10-9-13-5-1-4-8-17(13)22/h1-8,14H,9-12H2,(H,20,23)
InChIKeyPKTUGJGRGNVJHC-UHFFFAOYSA-N
XLogP3.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 23140532
N-(2-fluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 6468631
(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79410579
N-(4-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide
CID 23140123
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide
CID 121154547
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
3-amino-N-(2-fluorophenyl)-5-methylpiperidine-1-carboxamide
CID 79994443
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)propanamide
CID 8704291
N-(3-chlorophenyl)-3-(3,4-dihydro-2H-quinolin-1-yl)azetidine-1-carboxamide
CID 23140704
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide
CID 23139882
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide (CID 23140046) is 3-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide is O=C(Nc1ccccc1F)N1CC(N2CCc3ccccc32)C1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide?
The InChIKey is PKTUGJGRGNVJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c19-15-6-2-3-7-16(15)20-18(23)21-11-14(12-21)22-10-9-13-5-1-4-8-17(13)22/h1-8,14H,9-12H2,(H,20,23).
What are the key properties of 3-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide?
3-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-N-(2-fluorophenyl)azetidine-1-carboxamide is sourced from PubChem (CID 23140046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).