2-[5-(1-acetamidocyclopentyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate

C17H21ClN6O3 — CID 3745640

IUPAC2-[5-(1-acetamidocyclopentyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
SMILESCC(=O)NC1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C17H21ClN6O3/c1-12(25)20-17(8-2-3-9-17)15-21-22-23-24(15)10-11-27-16(26)19-14-6-4-13(18)5-7-14/h4-7H,2-3,8-11H2,1H3,(H,19,26)(H,20,25)
InChIKeyXGXAHLRAQBVPKY-UHFFFAOYSA-N
MW392.85 g/mol
LogP2.48
Rot. Bonds6

About 2-[5-(1-acetamidocyclopentyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate

2-[5-(1-acetamidocyclopentyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate (PubChem CID 3745640) has the molecular formula C17H21ClN6O3 and a molecular weight of 392.85 g/mol. Its IUPAC name is 2-[5-(1-acetamidocyclopentyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-[5-(1-acetamidocyclopentyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
PubChem CID3745640
Molecular FormulaC17H21ClN6O3
Molecular Weight392.85 g/mol
Exact Mass392.14
IUPAC Name2-[5-(1-acetamidocyclopentyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
SMILESCC(=O)NC1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C17H21ClN6O3/c1-12(25)20-17(8-2-3-9-17)15-21-22-23-24(15)10-11-27-16(26)19-14-6-4-13(18)5-7-14/h4-7H,2-3,8-11H2,1H3,(H,19,26)(H,20,25)
InChIKeyXGXAHLRAQBVPKY-UHFFFAOYSA-N
XLogP2.48
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-acetamidocyclopentyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The IUPAC name of 2-[5-(1-acetamidocyclopentyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate (CID 3745640) is 2-[5-(1-acetamidocyclopentyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for 2-[5-(1-acetamidocyclopentyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for 2-[5-(1-acetamidocyclopentyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate is CC(=O)NC1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 2-[5-(1-acetamidocyclopentyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The InChIKey is XGXAHLRAQBVPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN6O3/c1-12(25)20-17(8-2-3-9-17)15-21-22-23-24(15)10-11-27-16(26)19-14-6-4-13(18)5-7-14/h4-7H,2-3,8-11H2,1H3,(H,19,26)(H,20,25).
What are the key properties of 2-[5-(1-acetamidocyclopentyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
2-[5-(1-acetamidocyclopentyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate has a molecular weight of 392.85 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-acetamidocyclopentyl)tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 3745640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).