tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]carbamate

C19H20F2N2O3 — CID 76675820

IUPACtert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]carbamate
SMILESCC(c1ccc(F)cc1)N(C(=O)OC(C)(C)C)c1ccc(C=O)c(F)n1
InChIInChI=1S/C19H20F2N2O3/c1-12(13-5-8-15(20)9-6-13)23(18(25)26-19(2,3)4)16-10-7-14(11-24)17(21)22-16/h5-12H,1-4H3
InChIKeyUOTCVSMKVOFIMA-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.68
Rot. Bonds4

About tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]carbamate

tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]carbamate (PubChem CID 76675820) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]carbamate
PubChem CID76675820
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Nametert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]carbamate
SMILESCC(c1ccc(F)cc1)N(C(=O)OC(C)(C)C)c1ccc(C=O)c(F)n1
InChIInChI=1S/C19H20F2N2O3/c1-12(13-5-8-15(20)9-6-13)23(18(25)26-19(2,3)4)16-10-7-14(11-24)17(21)22-16/h5-12H,1-4H3
InChIKeyUOTCVSMKVOFIMA-UHFFFAOYSA-N
XLogP4.68
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]carbamate (CID 76675820) is tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]carbamate is CC(c1ccc(F)cc1)N(C(=O)OC(C)(C)C)c1ccc(C=O)c(F)n1.
What is the InChIKey of tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]carbamate?
The InChIKey is UOTCVSMKVOFIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c1-12(13-5-8-15(20)9-6-13)23(18(25)26-19(2,3)4)16-10-7-14(11-24)17(21)22-16/h5-12H,1-4H3.
What are the key properties of tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]carbamate?
tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]carbamate has a molecular weight of 362.38 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]carbamate is sourced from PubChem (CID 76675820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).