2-(2-chloro-4-fluorophenyl)-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]ethanone

C14H15ClFN5O2 — CID 157012012

IUPAC2-(2-chloro-4-fluorophenyl)-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]ethanone
SMILESCn1nnnc1C1CN(C(=O)Cc2ccc(F)cc2Cl)CCO1
InChIInChI=1S/C14H15ClFN5O2/c1-20-14(17-18-19-20)12-8-21(4-5-23-12)13(22)6-9-2-3-10(16)7-11(9)15/h2-3,7,12H,4-6,8H2,1H3
InChIKeyISNHPCCKAXGNDG-UHFFFAOYSA-N
MW339.76 g/mol
LogP1.15
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]ethanone

2-(2-chloro-4-fluorophenyl)-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]ethanone (PubChem CID 157012012) has the molecular formula C14H15ClFN5O2 and a molecular weight of 339.76 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]ethanone
PubChem CID157012012
Molecular FormulaC14H15ClFN5O2
Molecular Weight339.76 g/mol
Exact Mass339.09
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]ethanone
SMILESCn1nnnc1C1CN(C(=O)Cc2ccc(F)cc2Cl)CCO1
InChIInChI=1S/C14H15ClFN5O2/c1-20-14(17-18-19-20)12-8-21(4-5-23-12)13(22)6-9-2-3-10(16)7-11(9)15/h2-3,7,12H,4-6,8H2,1H3
InChIKeyISNHPCCKAXGNDG-UHFFFAOYSA-N
XLogP1.15
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]ethanone (CID 157012012) is 2-(2-chloro-4-fluorophenyl)-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]ethanone is Cn1nnnc1C1CN(C(=O)Cc2ccc(F)cc2Cl)CCO1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]ethanone?
The InChIKey is ISNHPCCKAXGNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN5O2/c1-20-14(17-18-19-20)12-8-21(4-5-23-12)13(22)6-9-2-3-10(16)7-11(9)15/h2-3,7,12H,4-6,8H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]ethanone?
2-(2-chloro-4-fluorophenyl)-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]ethanone has a molecular weight of 339.76 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 157012012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).