N-(2,6-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide

C19H21F2N3O — CID 70439463

IUPACN-(2,6-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide
SMILESCc1cc(C)nc(C2(C(=O)Nc3c(F)cccc3F)CCCC2C)n1
InChIInChI=1S/C19H21F2N3O/c1-11-6-5-9-19(11,17-22-12(2)10-13(3)23-17)18(25)24-16-14(20)7-4-8-15(16)21/h4,7-8,10-11H,5-6,9H2,1-3H3,(H,24,25)
InChIKeyZLWOTAJJWBLGBV-UHFFFAOYSA-N
MW345.39 g/mol
LogP4.07
Rot. Bonds3

About N-(2,6-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide

N-(2,6-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide (PubChem CID 70439463) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide
PubChem CID70439463
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC NameN-(2,6-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide
SMILESCc1cc(C)nc(C2(C(=O)Nc3c(F)cccc3F)CCCC2C)n1
InChIInChI=1S/C19H21F2N3O/c1-11-6-5-9-19(11,17-22-12(2)10-13(3)23-17)18(25)24-16-14(20)7-4-8-15(16)21/h4,7-8,10-11H,5-6,9H2,1-3H3,(H,24,25)
InChIKeyZLWOTAJJWBLGBV-UHFFFAOYSA-N
XLogP4.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide (CID 70439463) is N-(2,6-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide is Cc1cc(C)nc(C2(C(=O)Nc3c(F)cccc3F)CCCC2C)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide?
The InChIKey is ZLWOTAJJWBLGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c1-11-6-5-9-19(11,17-22-12(2)10-13(3)23-17)18(25)24-16-14(20)7-4-8-15(16)21/h4,7-8,10-11H,5-6,9H2,1-3H3,(H,24,25).
What are the key properties of N-(2,6-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide?
N-(2,6-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide has a molecular weight of 345.39 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 70439463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).