N-[4-(3,3-difluoropyrrolidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)acetamide

C21H21F3N2O2 — CID 134536782

IUPACN-[4-(3,3-difluoropyrrolidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1COc2ccccc2C1N1CCC(F)(F)C1
InChIInChI=1S/C21H21F3N2O2/c22-15-7-5-14(6-8-15)11-19(27)25-17-12-28-18-4-2-1-3-16(18)20(17)26-10-9-21(23,24)13-26/h1-8,17,20H,9-13H2,(H,25,27)
InChIKeyNLSXPDXKUFAFMO-UHFFFAOYSA-N
MW390.41 g/mol
LogP3.33
Rot. Bonds4

About N-[4-(3,3-difluoropyrrolidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)acetamide

N-[4-(3,3-difluoropyrrolidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 134536782) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[4-(3,3-difluoropyrrolidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(3,3-difluoropyrrolidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)acetamide
PubChem CID134536782
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC NameN-[4-(3,3-difluoropyrrolidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1COc2ccccc2C1N1CCC(F)(F)C1
InChIInChI=1S/C21H21F3N2O2/c22-15-7-5-14(6-8-15)11-19(27)25-17-12-28-18-4-2-1-3-16(18)20(17)26-10-9-21(23,24)13-26/h1-8,17,20H,9-13H2,(H,25,27)
InChIKeyNLSXPDXKUFAFMO-UHFFFAOYSA-N
XLogP3.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]acetamide
CID 134536580
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602
N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(4-fluorophenyl)acetamide
CID 166359293
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(4-fluorophenyl)acetamide
CID 155996080
2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide
CID 95984816
1-[1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 109396810
N-[5-[(4,4-difluoropiperidin-1-yl)methyl]-4-hydroxyoxolan-3-yl]-2-phenylacetamide
CID 162844857
(2S)-N-[4-(dimethylamino)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)propanamide
CID 134536633
N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-5-(4-fluorophenyl)-5-oxopentanamide
CID 97016841
2-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 94814028
4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid
CID 104524822
2-(4-fluorophenyl)-N-(4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl)propanamide
CID 172873483

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,3-difluoropyrrolidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[4-(3,3-difluoropyrrolidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)acetamide (CID 134536782) is N-[4-(3,3-difluoropyrrolidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[4-(3,3-difluoropyrrolidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[4-(3,3-difluoropyrrolidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)NC1COc2ccccc2C1N1CCC(F)(F)C1.
What is the InChIKey of N-[4-(3,3-difluoropyrrolidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is NLSXPDXKUFAFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c22-15-7-5-14(6-8-15)11-19(27)25-17-12-28-18-4-2-1-3-16(18)20(17)26-10-9-21(23,24)13-26/h1-8,17,20H,9-13H2,(H,25,27).
What are the key properties of N-[4-(3,3-difluoropyrrolidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)acetamide?
N-[4-(3,3-difluoropyrrolidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 390.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,3-difluoropyrrolidin-1-yl)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 134536782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).