N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide

C22H24FNO2 — CID 52528690

IUPACN-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(c1ccc2c(c1)CCC2)N(Cc1cccc(F)c1)C[C@@H]1CCCO1
InChIInChI=1S/C22H24FNO2/c23-20-7-1-4-16(12-20)14-24(15-21-8-3-11-26-21)22(25)19-10-9-17-5-2-6-18(17)13-19/h1,4,7,9-10,12-13,21H,2-3,5-6,8,11,14-15H2/t21-/m0/s1
InChIKeyKSMCDYKWBYGQPK-NRFANRHFSA-N
MW353.44 g/mol
LogP4.14
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide

N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 52528690) has the molecular formula C22H24FNO2 and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID52528690
Molecular FormulaC22H24FNO2
Molecular Weight353.44 g/mol
Exact Mass353.18
IUPAC NameN-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(c1ccc2c(c1)CCC2)N(Cc1cccc(F)c1)C[C@@H]1CCCO1
InChIInChI=1S/C22H24FNO2/c23-20-7-1-4-16(12-20)14-24(15-21-8-3-11-26-21)22(25)19-10-9-17-5-2-6-18(17)13-19/h1,4,7,9-10,12-13,21H,2-3,5-6,8,11,14-15H2/t21-/m0/s1
InChIKeyKSMCDYKWBYGQPK-NRFANRHFSA-N
XLogP4.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)butanamide
CID 60622855
N-[(3-fluorophenyl)methyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 94364646
2-cyclohexylidene-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97011423
2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 99804168
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 45181255
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 71935038
N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 94348968
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26343572
N-[(3-fluorophenyl)methyl]-4-(2-methoxyethylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 47088062
N-[(3-fluorophenyl)methyl]-3-methyl-4-oxo-N-(oxolan-2-ylmethyl)-1,5,6,7-tetrahydroindole-2-carboxamide
CID 49393187
N-[(3-fluorophenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 49338039
(2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide
CID 94348949

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 52528690) is N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide is O=C(c1ccc2c(c1)CCC2)N(Cc1cccc(F)c1)C[C@@H]1CCCO1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is KSMCDYKWBYGQPK-NRFANRHFSA-N. The full InChI is InChI=1S/C22H24FNO2/c23-20-7-1-4-16(12-20)14-24(15-21-8-3-11-26-21)22(25)19-10-9-17-5-2-6-18(17)13-19/h1,4,7,9-10,12-13,21H,2-3,5-6,8,11,14-15H2/t21-/m0/s1.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 353.44 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 52528690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).