N-[(4-cyclohexylphenyl)methyl]-2,2,2-trifluoro-N-[5-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]acetamide

C28H35F4N3O2Si — CID 151614521

IUPACN-[(4-cyclohexylphenyl)methyl]-2,2,2-trifluoro-N-[5-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]acetamide
SMILESC[Si](C)(C)CCOCn1ncc2cc(F)c(N(Cc3ccc(C4CCCCC4)cc3)C(=O)C(F)(F)F)cc21
InChIInChI=1S/C28H35F4N3O2Si/c1-38(2,3)14-13-37-19-35-25-16-26(24(29)15-23(25)17-33-35)34(27(36)28(30,31)32)18-20-9-11-22(12-10-20)21-7-5-4-6-8-21/h9-12,15-17,21H,4-8,13-14,18-19H2,1-3H3
InChIKeyQNFACERLPNPTDP-UHFFFAOYSA-N
MW549.69 g/mol
LogP7.63
Rot. Bonds9

About N-[(4-cyclohexylphenyl)methyl]-2,2,2-trifluoro-N-[5-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]acetamide

N-[(4-cyclohexylphenyl)methyl]-2,2,2-trifluoro-N-[5-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]acetamide (PubChem CID 151614521) has the molecular formula C28H35F4N3O2Si and a molecular weight of 549.69 g/mol. Its IUPAC name is N-[(4-cyclohexylphenyl)methyl]-2,2,2-trifluoro-N-[5-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]acetamide.

Molecular Properties

Compound NameN-[(4-cyclohexylphenyl)methyl]-2,2,2-trifluoro-N-[5-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]acetamide
PubChem CID151614521
Molecular FormulaC28H35F4N3O2Si
Molecular Weight549.69 g/mol
Exact Mass549.24
IUPAC NameN-[(4-cyclohexylphenyl)methyl]-2,2,2-trifluoro-N-[5-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]acetamide
SMILESC[Si](C)(C)CCOCn1ncc2cc(F)c(N(Cc3ccc(C4CCCCC4)cc3)C(=O)C(F)(F)F)cc21
InChIInChI=1S/C28H35F4N3O2Si/c1-38(2,3)14-13-37-19-35-25-16-26(24(29)15-23(25)17-33-35)34(27(36)28(30,31)32)18-20-9-11-22(12-10-20)21-7-5-4-6-8-21/h9-12,15-17,21H,4-8,13-14,18-19H2,1-3H3
InChIKeyQNFACERLPNPTDP-UHFFFAOYSA-N
XLogP7.63
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.69
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexylphenyl)methyl]-2,2,2-trifluoro-N-[5-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]acetamide?
The IUPAC name of N-[(4-cyclohexylphenyl)methyl]-2,2,2-trifluoro-N-[5-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]acetamide (CID 151614521) is N-[(4-cyclohexylphenyl)methyl]-2,2,2-trifluoro-N-[5-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]acetamide.
What is the SMILES notation for N-[(4-cyclohexylphenyl)methyl]-2,2,2-trifluoro-N-[5-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]acetamide?
The canonical SMILES for N-[(4-cyclohexylphenyl)methyl]-2,2,2-trifluoro-N-[5-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]acetamide is C[Si](C)(C)CCOCn1ncc2cc(F)c(N(Cc3ccc(C4CCCCC4)cc3)C(=O)C(F)(F)F)cc21.
What is the InChIKey of N-[(4-cyclohexylphenyl)methyl]-2,2,2-trifluoro-N-[5-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]acetamide?
The InChIKey is QNFACERLPNPTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F4N3O2Si/c1-38(2,3)14-13-37-19-35-25-16-26(24(29)15-23(25)17-33-35)34(27(36)28(30,31)32)18-20-9-11-22(12-10-20)21-7-5-4-6-8-21/h9-12,15-17,21H,4-8,13-14,18-19H2,1-3H3.
What are the key properties of N-[(4-cyclohexylphenyl)methyl]-2,2,2-trifluoro-N-[5-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]acetamide?
N-[(4-cyclohexylphenyl)methyl]-2,2,2-trifluoro-N-[5-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]acetamide has a molecular weight of 549.69 g/mol, XLogP of 7.63, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexylphenyl)methyl]-2,2,2-trifluoro-N-[5-fluoro-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]acetamide is sourced from PubChem (CID 151614521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).