N-[1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide

C14H14Cl2N6O3 — CID 76806151

IUPACN-[1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)n2nnn(-c3c(Cl)cccc3Cl)c2=O)C1
InChIInChI=1S/C14H14Cl2N6O3/c1-8(23)17-9-5-6-20(7-9)13(24)22-14(25)21(18-19-22)12-10(15)3-2-4-11(12)16/h2-4,9H,5-7H2,1H3,(H,17,23)
InChIKeyAQUPVRJEPDJOBH-UHFFFAOYSA-N
MW385.21 g/mol
LogP0.91
Rot. Bonds2

About N-[1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide

N-[1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide (PubChem CID 76806151) has the molecular formula C14H14Cl2N6O3 and a molecular weight of 385.21 g/mol. Its IUPAC name is N-[1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide
PubChem CID76806151
Molecular FormulaC14H14Cl2N6O3
Molecular Weight385.21 g/mol
Exact Mass384.05
IUPAC NameN-[1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)n2nnn(-c3c(Cl)cccc3Cl)c2=O)C1
InChIInChI=1S/C14H14Cl2N6O3/c1-8(23)17-9-5-6-20(7-9)13(24)22-14(25)21(18-19-22)12-10(15)3-2-4-11(12)16/h2-4,9H,5-7H2,1H3,(H,17,23)
InChIKeyAQUPVRJEPDJOBH-UHFFFAOYSA-N
XLogP0.91
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-1-[4-(4-chlorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide
CID 86567806
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
tert-butyl N-[4-[[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]-ethylamino]cyclohexyl]carbamate
CID 58502058
3-acetamidopyrrolidine-1-carboxylic acid
CID 22061271
N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide
CID 62234754
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051606
N-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051605
1-[4-(2,3-dichloroanilino)piperidin-1-yl]ethanone
CID 43772128
1-[4-[(2,3-dichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224238
N-(3-aminopropyl)-N-cyclohexyl-4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carboxamide
CID 70668249
N-[1-[7-(3,4-dichlorophenyl)-5-methyl-7H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 91167095
N-[1-(2-chloroprop-2-enoyl)pyrrolidin-3-yl]acetamide
CID 130826306

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide (CID 76806151) is N-[1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(C(=O)n2nnn(-c3c(Cl)cccc3Cl)c2=O)C1.
What is the InChIKey of N-[1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide?
The InChIKey is AQUPVRJEPDJOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N6O3/c1-8(23)17-9-5-6-20(7-9)13(24)22-14(25)21(18-19-22)12-10(15)3-2-4-11(12)16/h2-4,9H,5-7H2,1H3,(H,17,23).
What are the key properties of N-[1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide?
N-[1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide has a molecular weight of 385.21 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 76806151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).