tert-butyl N-[2-[2-fluoro-6-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]carbamate

C20H22F2N2O3 — CID 154972473

IUPACtert-butyl N-[2-[2-fluoro-6-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1c1c(F)cccc1OCc1cccnc1F
InChIInChI=1S/C20H22F2N2O3/c1-20(2,3)27-19(25)24-15-10-13(15)17-14(21)7-4-8-16(17)26-11-12-6-5-9-23-18(12)22/h4-9,13,15H,10-11H2,1-3H3,(H,24,25)
InChIKeySEWSIBWHLSFFCF-UHFFFAOYSA-N
MW376.40 g/mol
LogP4.32
Rot. Bonds5

About tert-butyl N-[2-[2-fluoro-6-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]carbamate

tert-butyl N-[2-[2-fluoro-6-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]carbamate (PubChem CID 154972473) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is tert-butyl N-[2-[2-fluoro-6-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-fluoro-6-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]carbamate
PubChem CID154972473
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Nametert-butyl N-[2-[2-fluoro-6-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1c1c(F)cccc1OCc1cccnc1F
InChIInChI=1S/C20H22F2N2O3/c1-20(2,3)27-19(25)24-15-10-13(15)17-14(21)7-4-8-16(17)26-11-12-6-5-9-23-18(12)22/h4-9,13,15H,10-11H2,1-3H3,(H,24,25)
InChIKeySEWSIBWHLSFFCF-UHFFFAOYSA-N
XLogP4.32
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-[(2-fluoro-3-pyridinyl)methoxy]-5-methoxyphenyl]cyclopropyl]carbamic acid
CID 154963541
tert-butyl N-(2-pyridin-3-ylcyclopropyl)carbamate
CID 78057434
tert-butyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate
CID 76555314
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]carbamate;carbonic acid
CID 70980362
tert-butyl N-[(5S,6S,9R)-6-(2,3-difluorophenyl)-9-hydroxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-yl]carbamate
CID 58467988
methyl 5-fluoro-2-[(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoate
CID 118304559
tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 104844649
methyl 2-fluoro-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoate
CID 118304016
tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate
CID 141045838
tert-butyl N-[2-[(2-hydroxyphenyl)methylamino]cyclopropyl]carbamate
CID 107237513
tert-butyl N-[2-(2-fluoro-3-pyridinyl)-2-oxoethyl]carbamate
CID 54052137

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-fluoro-6-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-fluoro-6-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]carbamate (CID 154972473) is tert-butyl N-[2-[2-fluoro-6-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-fluoro-6-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-fluoro-6-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1CC1c1c(F)cccc1OCc1cccnc1F.
What is the InChIKey of tert-butyl N-[2-[2-fluoro-6-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]carbamate?
The InChIKey is SEWSIBWHLSFFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-20(2,3)27-19(25)24-15-10-13(15)17-14(21)7-4-8-16(17)26-11-12-6-5-9-23-18(12)22/h4-9,13,15H,10-11H2,1-3H3,(H,24,25).
What are the key properties of tert-butyl N-[2-[2-fluoro-6-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]carbamate?
tert-butyl N-[2-[2-fluoro-6-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]carbamate has a molecular weight of 376.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-fluoro-6-[(2-fluoro-3-pyridinyl)methoxy]phenyl]cyclopropyl]carbamate is sourced from PubChem (CID 154972473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).