N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide

C21H19FN2O3 — CID 46342799

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
SMILESO=C(CC(c1cccc(F)c1)n1cccc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H19FN2O3/c22-16-5-3-4-15(12-16)18(24-8-1-2-9-24)14-21(25)23-17-6-7-19-20(13-17)27-11-10-26-19/h1-9,12-13,18H,10-11,14H2,(H,23,25)
InChIKeyOAYNCWGKQIWXEN-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.02
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 46342799) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
PubChem CID46342799
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
SMILESO=C(CC(c1cccc(F)c1)n1cccc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H19FN2O3/c22-16-5-3-4-15(12-16)18(24-8-1-2-9-24)14-21(25)23-17-6-7-19-20(13-17)27-11-10-26-19/h1-9,12-13,18H,10-11,14H2,(H,23,25)
InChIKeyOAYNCWGKQIWXEN-UHFFFAOYSA-N
XLogP4.02
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342795
(3R)-N-(3,4-difluorophenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709455
N-(1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 46342870
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708945
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide
CID 2948413
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrol-1-ylacetamide
CID 110688633
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-imidazol-1-ylbutanamide
CID 46340042
(3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide
CID 92710134
[2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9348447
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylbutanediamide
CID 82122330
N-(1,3-benzodioxol-5-yl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
CID 8719944

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide (CID 46342799) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide is O=C(CC(c1cccc(F)c1)n1cccc1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is OAYNCWGKQIWXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c22-16-5-3-4-15(12-16)18(24-8-1-2-9-24)14-21(25)23-17-6-7-19-20(13-17)27-11-10-26-19/h1-9,12-13,18H,10-11,14H2,(H,23,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 366.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 46342799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).