2-(4-fluorophenyl)-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]acetamide

C20H22FNO4 — CID 110294576

IUPAC2-(4-fluorophenyl)-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]acetamide
SMILESCOc1cc2c(cc1OC)C(O)(CNC(=O)Cc1ccc(F)cc1)CC2
InChIInChI=1S/C20H22FNO4/c1-25-17-10-14-7-8-20(24,16(14)11-18(17)26-2)12-22-19(23)9-13-3-5-15(21)6-4-13/h3-6,10-11,24H,7-9,12H2,1-2H3,(H,22,23)
InChIKeyCYXSYEMLXUSQNO-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.34
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]acetamide

2-(4-fluorophenyl)-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]acetamide (PubChem CID 110294576) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]acetamide
PubChem CID110294576
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name2-(4-fluorophenyl)-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]acetamide
SMILESCOc1cc2c(cc1OC)C(O)(CNC(=O)Cc1ccc(F)cc1)CC2
InChIInChI=1S/C20H22FNO4/c1-25-17-10-14-7-8-20(24,16(14)11-18(17)26-2)12-22-19(23)9-13-3-5-15(21)6-4-13/h3-6,10-11,24H,7-9,12H2,1-2H3,(H,22,23)
InChIKeyCYXSYEMLXUSQNO-UHFFFAOYSA-N
XLogP2.34
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide
CID 110294564
3,4-difluoro-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide
CID 110294598
N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide
CID 110294558
N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-methoxybenzamide
CID 110294566
N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]-3-pyrrol-1-ylbenzamide
CID 110311245
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-fluorophenyl)acetamide
CID 110399683
3-(3,4-dimethoxyphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 113090680
2-(4-fluorophenyl)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414577
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-fluorophenyl)acetamide
CID 115455987
1-(2-aminoethyl)-5,6-dimethoxy-2,3-dihydroinden-1-ol
CID 82388999
N-[(4-fluorophenyl)methyl]-N'-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]oxamide
CID 100732100
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110789806

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]acetamide (CID 110294576) is 2-(4-fluorophenyl)-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]acetamide is COc1cc2c(cc1OC)C(O)(CNC(=O)Cc1ccc(F)cc1)CC2.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]acetamide?
The InChIKey is CYXSYEMLXUSQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-25-17-10-14-7-8-20(24,16(14)11-18(17)26-2)12-22-19(23)9-13-3-5-15(21)6-4-13/h3-6,10-11,24H,7-9,12H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-fluorophenyl)-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]acetamide?
2-(4-fluorophenyl)-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]acetamide has a molecular weight of 359.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]acetamide is sourced from PubChem (CID 110294576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).