2,2-difluoro-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]cyclopropane-1-carboxamide

C24H28F3NO3Si — CID 162055758

IUPAC2,2-difluoro-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]cyclopropane-1-carboxamide
SMILESCOCc1ccc([C@@H](NC(=O)C2CC2(F)F)C(=O)Cc2ccc([Si](C)(C)C)c(F)c2)cc1
InChIInChI=1S/C24H28F3NO3Si/c1-31-14-15-5-8-17(9-6-15)22(28-23(30)18-13-24(18,26)27)20(29)12-16-7-10-21(19(25)11-16)32(2,3)4/h5-11,18,22H,12-14H2,1-4H3,(H,28,30)/t18?,22-/m1/s1
InChIKeyYZDRHCRROJCUDS-LMNIDFBRSA-N
MW463.57 g/mol
LogP4.14
Rot. Bonds9

About 2,2-difluoro-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]cyclopropane-1-carboxamide

2,2-difluoro-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]cyclopropane-1-carboxamide (PubChem CID 162055758) has the molecular formula C24H28F3NO3Si and a molecular weight of 463.57 g/mol. Its IUPAC name is 2,2-difluoro-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]cyclopropane-1-carboxamide
PubChem CID162055758
Molecular FormulaC24H28F3NO3Si
Molecular Weight463.57 g/mol
Exact Mass463.18
IUPAC Name2,2-difluoro-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]cyclopropane-1-carboxamide
SMILESCOCc1ccc([C@@H](NC(=O)C2CC2(F)F)C(=O)Cc2ccc([Si](C)(C)C)c(F)c2)cc1
InChIInChI=1S/C24H28F3NO3Si/c1-31-14-15-5-8-17(9-6-15)22(28-23(30)18-13-24(18,26)27)20(29)12-16-7-10-21(19(25)11-16)32(2,3)4/h5-11,18,22H,12-14H2,1-4H3,(H,28,30)/t18?,22-/m1/s1
InChIKeyYZDRHCRROJCUDS-LMNIDFBRSA-N
XLogP4.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]cyclopropane-1-carboxamide (CID 162055758) is 2,2-difluoro-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]cyclopropane-1-carboxamide is COCc1ccc([C@@H](NC(=O)C2CC2(F)F)C(=O)Cc2ccc([Si](C)(C)C)c(F)c2)cc1.
What is the InChIKey of 2,2-difluoro-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]cyclopropane-1-carboxamide?
The InChIKey is YZDRHCRROJCUDS-LMNIDFBRSA-N. The full InChI is InChI=1S/C24H28F3NO3Si/c1-31-14-15-5-8-17(9-6-15)22(28-23(30)18-13-24(18,26)27)20(29)12-16-7-10-21(19(25)11-16)32(2,3)4/h5-11,18,22H,12-14H2,1-4H3,(H,28,30)/t18?,22-/m1/s1.
What are the key properties of 2,2-difluoro-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]cyclopropane-1-carboxamide?
2,2-difluoro-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]cyclopropane-1-carboxamide has a molecular weight of 463.57 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 162055758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).