phenyl N-fluoro-N-[2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate

C18H13F2N3O3 — CID 87519560

IUPACphenyl N-fluoro-N-[2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate
SMILESO=C(Oc1ccccc1)N(F)c1ccnc(OCc2ccc(F)cc2)n1
InChIInChI=1S/C18H13F2N3O3/c19-14-8-6-13(7-9-14)12-25-17-21-11-10-16(22-17)23(20)18(24)26-15-4-2-1-3-5-15/h1-11H,12H2
InChIKeyLTIMIBBAMKZRMA-UHFFFAOYSA-N
MW357.32 g/mol
LogP4.08
Rot. Bonds5

About phenyl N-fluoro-N-[2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate

phenyl N-fluoro-N-[2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate (PubChem CID 87519560) has the molecular formula C18H13F2N3O3 and a molecular weight of 357.32 g/mol. Its IUPAC name is phenyl N-fluoro-N-[2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate.

Molecular Properties

Compound Namephenyl N-fluoro-N-[2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate
PubChem CID87519560
Molecular FormulaC18H13F2N3O3
Molecular Weight357.32 g/mol
Exact Mass357.09
IUPAC Namephenyl N-fluoro-N-[2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate
SMILESO=C(Oc1ccccc1)N(F)c1ccnc(OCc2ccc(F)cc2)n1
InChIInChI=1S/C18H13F2N3O3/c19-14-8-6-13(7-9-14)12-25-17-21-11-10-16(22-17)23(20)18(24)26-15-4-2-1-3-5-15/h1-11H,12H2
InChIKeyLTIMIBBAMKZRMA-UHFFFAOYSA-N
XLogP4.08
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-fluorophenyl)methoxy]pyrimidine
CID 126953834
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
phenyl N-[2-(4-fluorophenoxy)ethyl]-N-methylcarbamate
CID 60676113
2-[(4-fluorophenyl)methylsulfanyl]-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 55754249
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
2-[(4-fluorophenyl)methoxy]phenol
CID 43143460
(4-fluorophenyl) phenyl carbonate
CID 555788
4-[(4-fluorophenyl)methoxy]-3-hydroxypyridine-2-carboxylic acid
CID 19960336
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
[2-(4-fluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7625196
(4-phenylmethoxyphenyl) 2,5-difluorobenzoate
CID 91699651
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-pyridin-2-ylpropanamide
CID 35672557

Frequently Asked Questions

What is the IUPAC name of phenyl N-fluoro-N-[2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate?
The IUPAC name of phenyl N-fluoro-N-[2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate (CID 87519560) is phenyl N-fluoro-N-[2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate.
What is the SMILES notation for phenyl N-fluoro-N-[2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate?
The canonical SMILES for phenyl N-fluoro-N-[2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate is O=C(Oc1ccccc1)N(F)c1ccnc(OCc2ccc(F)cc2)n1.
What is the InChIKey of phenyl N-fluoro-N-[2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate?
The InChIKey is LTIMIBBAMKZRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O3/c19-14-8-6-13(7-9-14)12-25-17-21-11-10-16(22-17)23(20)18(24)26-15-4-2-1-3-5-15/h1-11H,12H2.
What are the key properties of phenyl N-fluoro-N-[2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate?
phenyl N-fluoro-N-[2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate has a molecular weight of 357.32 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-fluoro-N-[2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate is sourced from PubChem (CID 87519560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).