[3-(2,4-difluorophenyl)-5-(tetrazol-1-yl)phenyl] N-(1-methoxypropan-2-yl)carbamate

C18H17F2N5O3 — CID 122505811

IUPAC[3-(2,4-difluorophenyl)-5-(tetrazol-1-yl)phenyl] N-(1-methoxypropan-2-yl)carbamate
SMILESCOCC(C)NC(=O)Oc1cc(-c2ccc(F)cc2F)cc(-n2cnnn2)c1
InChIInChI=1S/C18H17F2N5O3/c1-11(9-27-2)22-18(26)28-15-6-12(16-4-3-13(19)7-17(16)20)5-14(8-15)25-10-21-23-24-25/h3-8,10-11H,9H2,1-2H3,(H,22,26)
InChIKeyUBMFJNVECJLROA-UHFFFAOYSA-N
MW389.36 g/mol
LogP2.73
Rot. Bonds6

About [3-(2,4-difluorophenyl)-5-(tetrazol-1-yl)phenyl] N-(1-methoxypropan-2-yl)carbamate

[3-(2,4-difluorophenyl)-5-(tetrazol-1-yl)phenyl] N-(1-methoxypropan-2-yl)carbamate (PubChem CID 122505811) has the molecular formula C18H17F2N5O3 and a molecular weight of 389.36 g/mol. Its IUPAC name is [3-(2,4-difluorophenyl)-5-(tetrazol-1-yl)phenyl] N-(1-methoxypropan-2-yl)carbamate.

Molecular Properties

Compound Name[3-(2,4-difluorophenyl)-5-(tetrazol-1-yl)phenyl] N-(1-methoxypropan-2-yl)carbamate
PubChem CID122505811
Molecular FormulaC18H17F2N5O3
Molecular Weight389.36 g/mol
Exact Mass389.13
IUPAC Name[3-(2,4-difluorophenyl)-5-(tetrazol-1-yl)phenyl] N-(1-methoxypropan-2-yl)carbamate
SMILESCOCC(C)NC(=O)Oc1cc(-c2ccc(F)cc2F)cc(-n2cnnn2)c1
InChIInChI=1S/C18H17F2N5O3/c1-11(9-27-2)22-18(26)28-15-6-12(16-4-3-13(19)7-17(16)20)5-14(8-15)25-10-21-23-24-25/h3-8,10-11H,9H2,1-2H3,(H,22,26)
InChIKeyUBMFJNVECJLROA-UHFFFAOYSA-N
XLogP2.73
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(2,4-difluorophenyl)-5-(tetrazol-1-yl)phenyl] N-(1-methoxypropan-2-yl)carbamate?
The IUPAC name of [3-(2,4-difluorophenyl)-5-(tetrazol-1-yl)phenyl] N-(1-methoxypropan-2-yl)carbamate (CID 122505811) is [3-(2,4-difluorophenyl)-5-(tetrazol-1-yl)phenyl] N-(1-methoxypropan-2-yl)carbamate.
What is the SMILES notation for [3-(2,4-difluorophenyl)-5-(tetrazol-1-yl)phenyl] N-(1-methoxypropan-2-yl)carbamate?
The canonical SMILES for [3-(2,4-difluorophenyl)-5-(tetrazol-1-yl)phenyl] N-(1-methoxypropan-2-yl)carbamate is COCC(C)NC(=O)Oc1cc(-c2ccc(F)cc2F)cc(-n2cnnn2)c1.
What is the InChIKey of [3-(2,4-difluorophenyl)-5-(tetrazol-1-yl)phenyl] N-(1-methoxypropan-2-yl)carbamate?
The InChIKey is UBMFJNVECJLROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O3/c1-11(9-27-2)22-18(26)28-15-6-12(16-4-3-13(19)7-17(16)20)5-14(8-15)25-10-21-23-24-25/h3-8,10-11H,9H2,1-2H3,(H,22,26).
What are the key properties of [3-(2,4-difluorophenyl)-5-(tetrazol-1-yl)phenyl] N-(1-methoxypropan-2-yl)carbamate?
[3-(2,4-difluorophenyl)-5-(tetrazol-1-yl)phenyl] N-(1-methoxypropan-2-yl)carbamate has a molecular weight of 389.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-difluorophenyl)-5-(tetrazol-1-yl)phenyl] N-(1-methoxypropan-2-yl)carbamate is sourced from PubChem (CID 122505811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).