4-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)butanamide

C25H28FNO3 — CID 60622855

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)butanamide
SMILESO=C(CCC(=O)N(Cc1cccc(F)c1)CC1CCCO1)c1ccc2c(c1)CCC2
InChIInChI=1S/C25H28FNO3/c26-22-7-1-4-18(14-22)16-27(17-23-8-3-13-30-23)25(29)12-11-24(28)21-10-9-19-5-2-6-20(19)15-21/h1,4,7,9-10,14-15,23H,2-3,5-6,8,11-13,16-17H2
InChIKeyMBEDIFHMGCLSAE-UHFFFAOYSA-N
MW409.50 g/mol
LogP4.49
Rot. Bonds8

About 4-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)butanamide

4-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 60622855) has the molecular formula C25H28FNO3 and a molecular weight of 409.50 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)butanamide
PubChem CID60622855
Molecular FormulaC25H28FNO3
Molecular Weight409.50 g/mol
Exact Mass409.21
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)butanamide
SMILESO=C(CCC(=O)N(Cc1cccc(F)c1)CC1CCCO1)c1ccc2c(c1)CCC2
InChIInChI=1S/C25H28FNO3/c26-22-7-1-4-18(14-22)16-27(17-23-8-3-13-30-23)25(29)12-11-24(28)21-10-9-19-5-2-6-20(19)15-21/h1,4,7,9-10,14-15,23H,2-3,5-6,8,11-13,16-17H2
InChIKeyMBEDIFHMGCLSAE-UHFFFAOYSA-N
XLogP4.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 52528690
N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 94348968
2-cyclohexylidene-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97011423
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 47087966
(2R)-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,4-dioxane-2-carboxamide
CID 94348949
(3S)-N-[(3-fluorophenyl)methyl]-1-methyl-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 94348951
N-[(3-fluorophenyl)methyl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 94364646
3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 119759146
3-amino-N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119759143
2,6-dichloro-5-fluoro-N-[(3-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 99804168
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 71876169
2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 60570632

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)butanamide (CID 60622855) is 4-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)butanamide is O=C(CCC(=O)N(Cc1cccc(F)c1)CC1CCCO1)c1ccc2c(c1)CCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is MBEDIFHMGCLSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FNO3/c26-22-7-1-4-18(14-22)16-27(17-23-8-3-13-30-23)25(29)12-11-24(28)21-10-9-19-5-2-6-20(19)15-21/h1,4,7,9-10,14-15,23H,2-3,5-6,8,11-13,16-17H2.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)butanamide?
4-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 409.50 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-N-[(3-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 60622855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).