2-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide

C19H17ClF2N2O4 — CID 55502616

IUPAC2-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
SMILESCNC(=O)C(NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(F)c(F)c1
InChIInChI=1S/C19H17ClF2N2O4/c1-23-19(26)17(11-2-3-13(21)14(22)9-11)24-16(25)8-10-6-12(20)18-15(7-10)27-4-5-28-18/h2-3,6-7,9,17H,4-5,8H2,1H3,(H,23,26)(H,24,25)
InChIKeyVDFVSPMRQNTALX-UHFFFAOYSA-N
MW410.80 g/mol
LogP2.54
Rot. Bonds5

About 2-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide

2-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide (PubChem CID 55502616) has the molecular formula C19H17ClF2N2O4 and a molecular weight of 410.80 g/mol. Its IUPAC name is 2-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
PubChem CID55502616
Molecular FormulaC19H17ClF2N2O4
Molecular Weight410.80 g/mol
Exact Mass410.08
IUPAC Name2-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide
SMILESCNC(=O)C(NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(F)c(F)c1
InChIInChI=1S/C19H17ClF2N2O4/c1-23-19(26)17(11-2-3-13(21)14(22)9-11)24-16(25)8-10-6-12(20)18-15(7-10)27-4-5-28-18/h2-3,6-7,9,17H,4-5,8H2,1H3,(H,23,26)(H,24,25)
InChIKeyVDFVSPMRQNTALX-UHFFFAOYSA-N
XLogP2.54
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.80
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 55583550
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 92752487
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide
CID 78867432
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide
CID 154750232
2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-N-methylpropanamide
CID 61057618
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylphenyl)acetamide
CID 51276762
2-chloro-N-[3-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 55483282
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 134051690
2-(3,4-difluorophenyl)-2-[[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-N-methylacetamide
CID 86916060
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylpentyl)acetamide
CID 32628858
2-(3,4-difluorophenyl)-2-[[2-(4-iodophenoxy)acetyl]amino]-N-methylacetamide
CID 55502598
3-chloro-N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 134051673

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
The IUPAC name of 2-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide (CID 55502616) is 2-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
The canonical SMILES for 2-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide is CNC(=O)C(NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
The InChIKey is VDFVSPMRQNTALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N2O4/c1-23-19(26)17(11-2-3-13(21)14(22)9-11)24-16(25)8-10-6-12(20)18-15(7-10)27-4-5-28-18/h2-3,6-7,9,17H,4-5,8H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 2-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide?
2-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide has a molecular weight of 410.80 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-2-(3,4-difluorophenyl)-N-methylacetamide is sourced from PubChem (CID 55502616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).