phenyl N-[5-(3,5-difluorophenyl)pyrimidin-2-yl]carbamate

C17H11F2N3O2 — CID 20829965

IUPACphenyl N-[5-(3,5-difluorophenyl)pyrimidin-2-yl]carbamate
SMILESO=C(Nc1ncc(-c2cc(F)cc(F)c2)cn1)Oc1ccccc1
InChIInChI=1S/C17H11F2N3O2/c18-13-6-11(7-14(19)8-13)12-9-20-16(21-10-12)22-17(23)24-15-4-2-1-3-5-15/h1-10H,(H,20,21,22,23)
InChIKeyFDEAQQAQHHDZCC-UHFFFAOYSA-N
MW327.29 g/mol
LogP4.03
Rot. Bonds3

About phenyl N-[5-(3,5-difluorophenyl)pyrimidin-2-yl]carbamate

phenyl N-[5-(3,5-difluorophenyl)pyrimidin-2-yl]carbamate (PubChem CID 20829965) has the molecular formula C17H11F2N3O2 and a molecular weight of 327.29 g/mol. Its IUPAC name is phenyl N-[5-(3,5-difluorophenyl)pyrimidin-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[5-(3,5-difluorophenyl)pyrimidin-2-yl]carbamate
PubChem CID20829965
Molecular FormulaC17H11F2N3O2
Molecular Weight327.29 g/mol
Exact Mass327.08
IUPAC Namephenyl N-[5-(3,5-difluorophenyl)pyrimidin-2-yl]carbamate
SMILESO=C(Nc1ncc(-c2cc(F)cc(F)c2)cn1)Oc1ccccc1
InChIInChI=1S/C17H11F2N3O2/c18-13-6-11(7-14(19)8-13)12-9-20-16(21-10-12)22-17(23)24-15-4-2-1-3-5-15/h1-10H,(H,20,21,22,23)
InChIKeyFDEAQQAQHHDZCC-UHFFFAOYSA-N
XLogP4.03
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[5-(3,5-difluorophenyl)pyrimidin-2-yl]carbamate?
The IUPAC name of phenyl N-[5-(3,5-difluorophenyl)pyrimidin-2-yl]carbamate (CID 20829965) is phenyl N-[5-(3,5-difluorophenyl)pyrimidin-2-yl]carbamate.
What is the SMILES notation for phenyl N-[5-(3,5-difluorophenyl)pyrimidin-2-yl]carbamate?
The canonical SMILES for phenyl N-[5-(3,5-difluorophenyl)pyrimidin-2-yl]carbamate is O=C(Nc1ncc(-c2cc(F)cc(F)c2)cn1)Oc1ccccc1.
What is the InChIKey of phenyl N-[5-(3,5-difluorophenyl)pyrimidin-2-yl]carbamate?
The InChIKey is FDEAQQAQHHDZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O2/c18-13-6-11(7-14(19)8-13)12-9-20-16(21-10-12)22-17(23)24-15-4-2-1-3-5-15/h1-10H,(H,20,21,22,23).
What are the key properties of phenyl N-[5-(3,5-difluorophenyl)pyrimidin-2-yl]carbamate?
phenyl N-[5-(3,5-difluorophenyl)pyrimidin-2-yl]carbamate has a molecular weight of 327.29 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[5-(3,5-difluorophenyl)pyrimidin-2-yl]carbamate is sourced from PubChem (CID 20829965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).