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

C19H19F2NO4 — CID 110294598

IUPAC3,4-difluoro-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide
SMILESCOc1cc2c(cc1OC)C(O)(CNC(=O)c1ccc(F)c(F)c1)CC2
InChIInChI=1S/C19H19F2NO4/c1-25-16-8-11-5-6-19(24,13(11)9-17(16)26-2)10-22-18(23)12-3-4-14(20)15(21)7-12/h3-4,7-9,24H,5-6,10H2,1-2H3,(H,22,23)
InChIKeyDCDDHMNQKNEVEY-UHFFFAOYSA-N
MW363.36 g/mol
LogP2.55
Rot. Bonds5

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

3,4-difluoro-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide (PubChem CID 110294598) has the molecular formula C19H19F2NO4 and a molecular weight of 363.36 g/mol. Its IUPAC name is 3,4-difluoro-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide
PubChem CID110294598
Molecular FormulaC19H19F2NO4
Molecular Weight363.36 g/mol
Exact Mass363.13
IUPAC Name3,4-difluoro-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide
SMILESCOc1cc2c(cc1OC)C(O)(CNC(=O)c1ccc(F)c(F)c1)CC2
InChIInChI=1S/C19H19F2NO4/c1-25-16-8-11-5-6-19(24,13(11)9-17(16)26-2)10-22-18(23)12-3-4-14(20)15(21)7-12/h3-4,7-9,24H,5-6,10H2,1-2H3,(H,22,23)
InChIKeyDCDDHMNQKNEVEY-UHFFFAOYSA-N
XLogP2.55
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 52.55
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
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
3,4-difluoro-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzamide
CID 95983082
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)methyl]-3,4-difluorobenzamide
CID 110636025
3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119123
3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide
CID 115267549
1-(2-aminoethyl)-5,6-dimethoxy-2,3-dihydroinden-1-ol
CID 82388999
3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide
CID 97042590
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide
CID 110445671
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114758932

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide (CID 110294598) is 3,4-difluoro-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide is COc1cc2c(cc1OC)C(O)(CNC(=O)c1ccc(F)c(F)c1)CC2.
What is the InChIKey of 3,4-difluoro-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide?
The InChIKey is DCDDHMNQKNEVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO4/c1-25-16-8-11-5-6-19(24,13(11)9-17(16)26-2)10-22-18(23)12-3-4-14(20)15(21)7-12/h3-4,7-9,24H,5-6,10H2,1-2H3,(H,22,23).
What are the key properties of 3,4-difluoro-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide?
3,4-difluoro-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide has a molecular weight of 363.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide is sourced from PubChem (CID 110294598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).