2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide

C19H16N6O3 — CID 46683955

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(-c2nnnn2C)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H16N6O3/c1-11(25-18(27)14-8-3-4-9-15(14)19(25)28)17(26)20-13-7-5-6-12(10-13)16-21-22-23-24(16)2/h3-11H,1-2H3,(H,20,26)
InChIKeyLKBVQQOFCVXJDP-UHFFFAOYSA-N
MW376.38 g/mol
LogP1.50
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide

2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide (PubChem CID 46683955) has the molecular formula C19H16N6O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
PubChem CID46683955
Molecular FormulaC19H16N6O3
Molecular Weight376.38 g/mol
Exact Mass376.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(-c2nnnn2C)c1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H16N6O3/c1-11(25-18(27)14-8-3-4-9-15(14)19(25)28)17(26)20-13-7-5-6-12(10-13)16-21-22-23-24(16)2/h3-11H,1-2H3,(H,20,26)
InChIKeyLKBVQQOFCVXJDP-UHFFFAOYSA-N
XLogP1.50
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 42930289
(2R)-2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 26122706
(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442
(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 26124939
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide
CID 679819
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7104334
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 122286196
2-(4-acetamidophenyl)sulfanyl-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 55832469
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide
CID 7994568
(2S)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]hexanamide
CID 103831156

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide (CID 46683955) is 2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide is CC(C(=O)Nc1cccc(-c2nnnn2C)c1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide?
The InChIKey is LKBVQQOFCVXJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3/c1-11(25-18(27)14-8-3-4-9-15(14)19(25)28)17(26)20-13-7-5-6-12(10-13)16-21-22-23-24(16)2/h3-11H,1-2H3,(H,20,26).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide?
2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide has a molecular weight of 376.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 46683955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).