N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide

C18H13F2N3O2 — CID 58337558

IUPACN-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(F)c(F)c(Oc3cncnc3)c2)c1
InChIInChI=1S/C18H13F2N3O2/c1-11-3-2-4-12(5-11)18(24)23-13-6-15(19)17(20)16(7-13)25-14-8-21-10-22-9-14/h2-10H,1H3,(H,23,24)
InChIKeyCIYYCORDGRHEDC-UHFFFAOYSA-N
MW341.32 g/mol
LogP4.11
Rot. Bonds4

About N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide

N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide (PubChem CID 58337558) has the molecular formula C18H13F2N3O2 and a molecular weight of 341.32 g/mol. Its IUPAC name is N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
PubChem CID58337558
Molecular FormulaC18H13F2N3O2
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC NameN-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(F)c(F)c(Oc3cncnc3)c2)c1
InChIInChI=1S/C18H13F2N3O2/c1-11-3-2-4-12(5-11)18(24)23-13-6-15(19)17(20)16(7-13)25-14-8-21-10-22-9-14/h2-10H,1H3,(H,23,24)
InChIKeyCIYYCORDGRHEDC-UHFFFAOYSA-N
XLogP4.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?
The IUPAC name of N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide (CID 58337558) is N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide.
What is the SMILES notation for N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?
The canonical SMILES for N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(F)c(F)c(Oc3cncnc3)c2)c1.
What is the InChIKey of N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?
The InChIKey is CIYYCORDGRHEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2/c1-11-3-2-4-12(5-11)18(24)23-13-6-15(19)17(20)16(7-13)25-14-8-21-10-22-9-14/h2-10H,1H3,(H,23,24).
What are the key properties of N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?
N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide has a molecular weight of 341.32 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide is sourced from PubChem (CID 58337558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).