N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-3,4-difluorobenzamide

C19H18F2N2O4 — CID 113063065

IUPACN-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-3,4-difluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H18F2N2O4/c1-12(24)23(14-3-5-17-18(11-14)27-9-8-26-17)7-6-22-19(25)13-2-4-15(20)16(21)10-13/h2-5,10-11H,6-9H2,1H3,(H,22,25)
InChIKeyNKZUKNXQEDSBGK-UHFFFAOYSA-N
MW376.36 g/mol
LogP2.52
Rot. Bonds5

About N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-3,4-difluorobenzamide

N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-3,4-difluorobenzamide (PubChem CID 113063065) has the molecular formula C19H18F2N2O4 and a molecular weight of 376.36 g/mol. Its IUPAC name is N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-3,4-difluorobenzamide
PubChem CID113063065
Molecular FormulaC19H18F2N2O4
Molecular Weight376.36 g/mol
Exact Mass376.12
IUPAC NameN-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-3,4-difluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H18F2N2O4/c1-12(24)23(14-3-5-17-18(11-14)27-9-8-26-17)7-6-22-19(25)13-2-4-15(20)16(21)10-13/h2-5,10-11H,6-9H2,1H3,(H,22,25)
InChIKeyNKZUKNXQEDSBGK-UHFFFAOYSA-N
XLogP2.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(N-acetyl-4-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113059331
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113062649
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide
CID 113062950
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-ethylbutanamide
CID 113063034
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]propanamide
CID 113063025
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-methylbenzamide
CID 113063038
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide
CID 113064610
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3,4-dimethoxybenzamide
CID 113064623
N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-3,4-difluorobenzamide
CID 113055124
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-phenylacetamide
CID 113063051
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]-3,4-difluorobenzamide
CID 113061115
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-bromobenzamide
CID 113064613

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-3,4-difluorobenzamide (CID 113063065) is N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-3,4-difluorobenzamide is CC(=O)N(CCNC(=O)c1ccc(F)c(F)c1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-3,4-difluorobenzamide?
The InChIKey is NKZUKNXQEDSBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O4/c1-12(24)23(14-3-5-17-18(11-14)27-9-8-26-17)7-6-22-19(25)13-2-4-15(20)16(21)10-13/h2-5,10-11H,6-9H2,1H3,(H,22,25).
What are the key properties of N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-3,4-difluorobenzamide?
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-3,4-difluorobenzamide has a molecular weight of 376.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-3,4-difluorobenzamide is sourced from PubChem (CID 113063065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).