N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

C20H20FNO3 — CID 72850967

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCCC1COc2ccccc2O1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20FNO3/c21-15-7-5-14(6-8-15)20(10-11-20)19(23)22-12-9-16-13-24-17-3-1-2-4-18(17)25-16/h1-8,16H,9-13H2,(H,22,23)
InChIKeyWYYWQDRFDNNVFJ-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.20
Rot. Bonds5

About N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide

N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 72850967) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID72850967
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCCC1COc2ccccc2O1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H20FNO3/c21-15-7-5-14(6-8-15)20(10-11-20)19(23)22-12-9-16-13-24-17-3-1-2-4-18(17)25-16/h1-8,16H,9-13H2,(H,22,23)
InChIKeyWYYWQDRFDNNVFJ-UHFFFAOYSA-N
XLogP3.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-phenylcyclopentane-1-carboxamide
CID 790018
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-N'-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxamide
CID 7241999
N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide
CID 99945179
2-(2-aminoethoxy)-N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide
CID 126447738
2-(2-aminoethoxy)-N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-5-fluorobenzamide
CID 126447739
N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 97153419
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 99937966
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 39769201
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 1251106
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboxamide
CID 99933072
1-(difluoromethyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]pyrazole-3-carboxamide
CID 90651872
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 99930130

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide (CID 72850967) is N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is O=C(NCCC1COc2ccccc2O1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is WYYWQDRFDNNVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c21-15-7-5-14(6-8-15)20(10-11-20)19(23)22-12-9-16-13-24-17-3-1-2-4-18(17)25-16/h1-8,16H,9-13H2,(H,22,23).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 341.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 72850967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).