N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide

C24H20N6O4 — CID 3192796

IUPACN-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
SMILESO=C(Cn1nnc(-c2ccccc2NC(=O)c2ccccc2)n1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C24H20N6O4/c31-22(25-17-10-11-20-21(14-17)34-13-12-33-20)15-30-28-23(27-29-30)18-8-4-5-9-19(18)26-24(32)16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,25,31)(H,26,32)
InChIKeyFJYLLAPSQFNAFU-UHFFFAOYSA-N
MW456.46 g/mol
LogP3.00
Rot. Bonds6

About N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide

N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide (PubChem CID 3192796) has the molecular formula C24H20N6O4 and a molecular weight of 456.46 g/mol. Its IUPAC name is N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
PubChem CID3192796
Molecular FormulaC24H20N6O4
Molecular Weight456.46 g/mol
Exact Mass456.15
IUPAC NameN-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
SMILESO=C(Cn1nnc(-c2ccccc2NC(=O)c2ccccc2)n1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C24H20N6O4/c31-22(25-17-10-11-20-21(14-17)34-13-12-33-20)15-30-28-23(27-29-30)18-8-4-5-9-19(18)26-24(32)16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,25,31)(H,26,32)
InChIKeyFJYLLAPSQFNAFU-UHFFFAOYSA-N
XLogP3.00
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The IUPAC name of N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide (CID 3192796) is N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The canonical SMILES for N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide is O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccccc2)n1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The InChIKey is FJYLLAPSQFNAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O4/c31-22(25-17-10-11-20-21(14-17)34-13-12-33-20)15-30-28-23(27-29-30)18-8-4-5-9-19(18)26-24(32)16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H,25,31)(H,26,32).
What are the key properties of N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide has a molecular weight of 456.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 3192796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).