N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-(1,1-difluoroethyl)benzamide

C20H14F2N4O2 — CID 58337751

IUPACN-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-(1,1-difluoroethyl)benzamide
SMILESCC(F)(F)c1cccc(C(=O)Nc2cc(C#N)cc(Oc3cncnc3)c2)c1
InChIInChI=1S/C20H14F2N4O2/c1-20(21,22)15-4-2-3-14(7-15)19(27)26-16-5-13(9-23)6-17(8-16)28-18-10-24-12-25-11-18/h2-8,10-12H,1H3,(H,26,27)
InChIKeyZNGVBHGZRFARRD-UHFFFAOYSA-N
MW380.35 g/mol
LogP4.50
Rot. Bonds5

About N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-(1,1-difluoroethyl)benzamide

N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-(1,1-difluoroethyl)benzamide (PubChem CID 58337751) has the molecular formula C20H14F2N4O2 and a molecular weight of 380.35 g/mol. Its IUPAC name is N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-(1,1-difluoroethyl)benzamide.

Molecular Properties

Compound NameN-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-(1,1-difluoroethyl)benzamide
PubChem CID58337751
Molecular FormulaC20H14F2N4O2
Molecular Weight380.35 g/mol
Exact Mass380.11
IUPAC NameN-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-(1,1-difluoroethyl)benzamide
SMILESCC(F)(F)c1cccc(C(=O)Nc2cc(C#N)cc(Oc3cncnc3)c2)c1
InChIInChI=1S/C20H14F2N4O2/c1-20(21,22)15-4-2-3-14(7-15)19(27)26-16-5-13(9-23)6-17(8-16)28-18-10-24-12-25-11-18/h2-8,10-12H,1H3,(H,26,27)
InChIKeyZNGVBHGZRFARRD-UHFFFAOYSA-N
XLogP4.50
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-(1,1-difluoroethyl)benzamide?
The IUPAC name of N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-(1,1-difluoroethyl)benzamide (CID 58337751) is N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-(1,1-difluoroethyl)benzamide.
What is the SMILES notation for N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-(1,1-difluoroethyl)benzamide?
The canonical SMILES for N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-(1,1-difluoroethyl)benzamide is CC(F)(F)c1cccc(C(=O)Nc2cc(C#N)cc(Oc3cncnc3)c2)c1.
What is the InChIKey of N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-(1,1-difluoroethyl)benzamide?
The InChIKey is ZNGVBHGZRFARRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2/c1-20(21,22)15-4-2-3-14(7-15)19(27)26-16-5-13(9-23)6-17(8-16)28-18-10-24-12-25-11-18/h2-8,10-12H,1H3,(H,26,27).
What are the key properties of N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-(1,1-difluoroethyl)benzamide?
N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-(1,1-difluoroethyl)benzamide has a molecular weight of 380.35 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-(1,1-difluoroethyl)benzamide is sourced from PubChem (CID 58337751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).