N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,4-difluorobenzamide

C19H19F2NO3 — CID 110636025

IUPACN-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,4-difluorobenzamide
SMILESCOc1cc2c(cc1OC)C(CNC(=O)c1ccc(F)c(F)c1)CC2
InChIInChI=1S/C19H19F2NO3/c1-24-17-8-11-3-4-13(14(11)9-18(17)25-2)10-22-19(23)12-5-6-15(20)16(21)7-12/h5-9,13H,3-4,10H2,1-2H3,(H,22,23)
InChIKeyHBLGTLVOLWUIIJ-UHFFFAOYSA-N
MW347.36 g/mol
LogP3.44
Rot. Bonds5

About N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,4-difluorobenzamide

N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,4-difluorobenzamide (PubChem CID 110636025) has the molecular formula C19H19F2NO3 and a molecular weight of 347.36 g/mol. Its IUPAC name is N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,4-difluorobenzamide
PubChem CID110636025
Molecular FormulaC19H19F2NO3
Molecular Weight347.36 g/mol
Exact Mass347.13
IUPAC NameN-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,4-difluorobenzamide
SMILESCOc1cc2c(cc1OC)C(CNC(=O)c1ccc(F)c(F)c1)CC2
InChIInChI=1S/C19H19F2NO3/c1-24-17-8-11-3-4-13(14(11)9-18(17)25-2)10-22-19(23)12-5-6-15(20)16(21)7-12/h5-9,13H,3-4,10H2,1-2H3,(H,22,23)
InChIKeyHBLGTLVOLWUIIJ-UHFFFAOYSA-N
XLogP3.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[(1-hydroxy-5,6-dimethoxy-2,3-dihydroinden-1-yl)methyl]benzamide
CID 110294598
N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 110636033
N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide
CID 106124416
N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110407587
N-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-3-fluorobenzamide
CID 42825311
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 25147351
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 51126349
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-fluoro-4-methoxybenzamide
CID 114317199
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
2-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 110648738
N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]benzenesulfonamide
CID 110636042
3-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxybenzamide;hydrochloride
CID 120944009

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,4-difluorobenzamide?
The IUPAC name of N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,4-difluorobenzamide (CID 110636025) is N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,4-difluorobenzamide is COc1cc2c(cc1OC)C(CNC(=O)c1ccc(F)c(F)c1)CC2.
What is the InChIKey of N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,4-difluorobenzamide?
The InChIKey is HBLGTLVOLWUIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO3/c1-24-17-8-11-3-4-13(14(11)9-18(17)25-2)10-22-19(23)12-5-6-15(20)16(21)7-12/h5-9,13H,3-4,10H2,1-2H3,(H,22,23).
What are the key properties of N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,4-difluorobenzamide?
N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,4-difluorobenzamide has a molecular weight of 347.36 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,4-difluorobenzamide is sourced from PubChem (CID 110636025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).