N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide

C18H16FN5O3 — CID 43024305

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide
SMILESCC(C(=O)Nc1ccc2c(c1)OCCO2)n1nnc(-c2cccc(F)c2)n1
InChIInChI=1S/C18H16FN5O3/c1-11(24-22-17(21-23-24)12-3-2-4-13(19)9-12)18(25)20-14-5-6-15-16(10-14)27-8-7-26-15/h2-6,9-11H,7-8H2,1H3,(H,20,25)
InChIKeySHECCRZHRWINDM-UHFFFAOYSA-N
MW369.36 g/mol
LogP2.45
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide (PubChem CID 43024305) has the molecular formula C18H16FN5O3 and a molecular weight of 369.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide
PubChem CID43024305
Molecular FormulaC18H16FN5O3
Molecular Weight369.36 g/mol
Exact Mass369.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide
SMILESCC(C(=O)Nc1ccc2c(c1)OCCO2)n1nnc(-c2cccc(F)c2)n1
InChIInChI=1S/C18H16FN5O3/c1-11(24-22-17(21-23-24)12-3-2-4-13(19)9-12)18(25)20-14-5-6-15-16(10-14)27-8-7-26-15/h2-6,9-11H,7-8H2,1H3,(H,20,25)
InChIKeySHECCRZHRWINDM-UHFFFAOYSA-N
XLogP2.45
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 1149424
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(2-methylpropylcarbamoyl)propanamide
CID 46583399
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-(3,4-difluorophenyl)propanamide
CID 46583110
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
CID 110426408
(2S)-N-(3-ethoxypropyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide
CID 38958525
6-[2-[5-(3-fluorophenyl)tetrazol-2-yl]propanoyl]-4H-1,4-benzoxazin-3-one
CID 47023811
N-(3-bromophenyl)-2-[5-[3-(trifluoromethyl)phenyl]tetrazol-2-yl]propanamide
CID 55430423
N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 111487110
(2R)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(4-phenoxyphenyl)propanamide
CID 40811476
2-(azepan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 51167641
(2R)-N-(1,3-benzodioxol-5-yl)-2-[[4-ethyl-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7339451
(2S)-N-(1,3-benzodioxol-5-yl)-2-[[4-ethyl-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7339450

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide (CID 43024305) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide is CC(C(=O)Nc1ccc2c(c1)OCCO2)n1nnc(-c2cccc(F)c2)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide?
The InChIKey is SHECCRZHRWINDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O3/c1-11(24-22-17(21-23-24)12-3-2-4-13(19)9-12)18(25)20-14-5-6-15-16(10-14)27-8-7-26-15/h2-6,9-11H,7-8H2,1H3,(H,20,25).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide has a molecular weight of 369.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]propanamide is sourced from PubChem (CID 43024305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).