N-(4-chloro-2-fluorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide

C19H20ClFN2O3 — CID 24589161

IUPACN-(4-chloro-2-fluorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H20ClFN2O3/c1-23(12-13-2-5-17-18(10-13)26-9-8-25-17)7-6-19(24)22-16-4-3-14(20)11-15(16)21/h2-5,10-11H,6-9,12H2,1H3,(H,22,24)
InChIKeyRDMBYFPKDQBMAF-UHFFFAOYSA-N
MW378.83 g/mol
LogP3.71
Rot. Bonds6

About N-(4-chloro-2-fluorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide

N-(4-chloro-2-fluorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide (PubChem CID 24589161) has the molecular formula C19H20ClFN2O3 and a molecular weight of 378.83 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide
PubChem CID24589161
Molecular FormulaC19H20ClFN2O3
Molecular Weight378.83 g/mol
Exact Mass378.11
IUPAC NameN-(4-chloro-2-fluorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H20ClFN2O3/c1-23(12-13-2-5-17-18(10-13)26-9-8-25-17)7-6-19(24)22-16-4-3-14(20)11-15(16)21/h2-5,10-11H,6-9,12H2,1H3,(H,22,24)
InChIKeyRDMBYFPKDQBMAF-UHFFFAOYSA-N
XLogP3.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chloro-2-fluorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide with MolForge

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Related Compounds

N-(4-chloro-2-fluorophenyl)-3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanamide
CID 24589255
N-(5-chloro-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17492812
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 8746746
methyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate
CID 115232427
3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide
CID 51303066
N-(4-bromo-2-fluorophenyl)-3-[(4-bromophenyl)methyl-methylamino]propanamide
CID 24588996
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide
CID 8745492
N-(2-bromo-4-methylphenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetamide
CID 31380089
N-(4-chloro-2-fluorophenyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 17487361
3-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl(methyl)amino]propanoic acid
CID 65063169
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)propanamide
CID 113119688
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-chloro-2-fluorophenyl)oxamide
CID 44999501

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide (CID 24589161) is N-(4-chloro-2-fluorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide is CN(CCC(=O)Nc1ccc(Cl)cc1F)Cc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide?
The InChIKey is RDMBYFPKDQBMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3/c1-23(12-13-2-5-17-18(10-13)26-9-8-25-17)7-6-19(24)22-16-4-3-14(20)11-15(16)21/h2-5,10-11H,6-9,12H2,1H3,(H,22,24).
What are the key properties of N-(4-chloro-2-fluorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide?
N-(4-chloro-2-fluorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide has a molecular weight of 378.83 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide is sourced from PubChem (CID 24589161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).