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

C21H22Cl2N6O3 — CID 3497585

IUPAC2-[5-[(4-chlorophenyl)-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)OCCn1nnnc1C(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C21H22Cl2N6O3/c22-16-3-1-15(2-4-16)19(28-9-12-31-13-10-28)20-25-26-27-29(20)11-14-32-21(30)24-18-7-5-17(23)6-8-18/h1-8,19H,9-14H2,(H,24,30)
InChIKeyFXNUARLTOBHOPM-UHFFFAOYSA-N
MW477.35 g/mol
LogP3.65
Rot. Bonds7

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

2-[5-[(4-chlorophenyl)-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate (PubChem CID 3497585) has the molecular formula C21H22Cl2N6O3 and a molecular weight of 477.35 g/mol. Its IUPAC name is 2-[5-[(4-chlorophenyl)-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate.

Molecular Properties

Compound Name2-[5-[(4-chlorophenyl)-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
PubChem CID3497585
Molecular FormulaC21H22Cl2N6O3
Molecular Weight477.35 g/mol
Exact Mass476.11
IUPAC Name2-[5-[(4-chlorophenyl)-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)cc1)OCCn1nnnc1C(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C21H22Cl2N6O3/c22-16-3-1-15(2-4-16)19(28-9-12-31-13-10-28)20-25-26-27-29(20)11-14-32-21(30)24-18-7-5-17(23)6-8-18/h1-8,19H,9-14H2,(H,24,30)
InChIKeyFXNUARLTOBHOPM-UHFFFAOYSA-N
XLogP3.65
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-[(4-chlorophenyl)-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-chlorophenyl)-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The IUPAC name of 2-[5-[(4-chlorophenyl)-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate (CID 3497585) is 2-[5-[(4-chlorophenyl)-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate.
What is the SMILES notation for 2-[5-[(4-chlorophenyl)-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The canonical SMILES for 2-[5-[(4-chlorophenyl)-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate is O=C(Nc1ccc(Cl)cc1)OCCn1nnnc1C(c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of 2-[5-[(4-chlorophenyl)-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
The InChIKey is FXNUARLTOBHOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N6O3/c22-16-3-1-15(2-4-16)19(28-9-12-31-13-10-28)20-25-26-27-29(20)11-14-32-21(30)24-18-7-5-17(23)6-8-18/h1-8,19H,9-14H2,(H,24,30).
What are the key properties of 2-[5-[(4-chlorophenyl)-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate?
2-[5-[(4-chlorophenyl)-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate has a molecular weight of 477.35 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-chlorophenyl)-morpholin-4-ylmethyl]tetrazol-1-yl]ethyl N-(4-chlorophenyl)carbamate is sourced from PubChem (CID 3497585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).