N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide

C24H28F2N6O2 — CID 55876674

IUPACN-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1C(Cc1ccc(F)cc1)C(=O)NCc1ccc(N2CC(C)OC(C)C2)c(F)c1
InChIInChI=1S/C24H28F2N6O2/c1-15-13-31(14-16(2)34-15)22-9-6-19(10-21(22)26)12-27-24(33)23(32-17(3)28-29-30-32)11-18-4-7-20(25)8-5-18/h4-10,15-16,23H,11-14H2,1-3H3,(H,27,33)
InChIKeyRZVFPINMPZBQOR-UHFFFAOYSA-N
MW470.52 g/mol
LogP2.97
Rot. Bonds7

About N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide

N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide (PubChem CID 55876674) has the molecular formula C24H28F2N6O2 and a molecular weight of 470.52 g/mol. Its IUPAC name is N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
PubChem CID55876674
Molecular FormulaC24H28F2N6O2
Molecular Weight470.52 g/mol
Exact Mass470.22
IUPAC NameN-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1C(Cc1ccc(F)cc1)C(=O)NCc1ccc(N2CC(C)OC(C)C2)c(F)c1
InChIInChI=1S/C24H28F2N6O2/c1-15-13-31(14-16(2)34-15)22-9-6-19(10-21(22)26)12-27-24(33)23(32-17(3)28-29-30-32)11-18-4-7-20(25)8-5-18/h4-10,15-16,23H,11-14H2,1-3H3,(H,27,33)
InChIKeyRZVFPINMPZBQOR-UHFFFAOYSA-N
XLogP2.97
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide (CID 55876674) is N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide is Cc1nnnn1C(Cc1ccc(F)cc1)C(=O)NCc1ccc(N2CC(C)OC(C)C2)c(F)c1.
What is the InChIKey of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is RZVFPINMPZBQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N6O2/c1-15-13-31(14-16(2)34-15)22-9-6-19(10-21(22)26)12-27-24(33)23(32-17(3)28-29-30-32)11-18-4-7-20(25)8-5-18/h4-10,15-16,23H,11-14H2,1-3H3,(H,27,33).
What are the key properties of N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide?
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 470.52 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 55876674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).