3-chloro-2-fluoro-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(4-trimethylsilylphenyl)methyl]benzamide

C27H25ClF7NOSi — CID 88930016

IUPAC3-chloro-2-fluoro-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(4-trimethylsilylphenyl)methyl]benzamide
SMILESC[Si](C)(C)c1ccc(CN(CCc2cccc(C(F)(F)F)c2)C(=O)c2cc(C(F)(F)F)cc(Cl)c2F)cc1
InChIInChI=1S/C27H25ClF7NOSi/c1-38(2,3)21-9-7-18(8-10-21)16-36(12-11-17-5-4-6-19(13-17)26(30,31)32)25(37)22-14-20(27(33,34)35)15-23(28)24(22)29/h4-10,13-15H,11-12,16H2,1-3H3
InChIKeySGCCGVKWUWCDSZ-UHFFFAOYSA-N
MW576.03 g/mol
LogP7.95
Rot. Bonds7

About 3-chloro-2-fluoro-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(4-trimethylsilylphenyl)methyl]benzamide

3-chloro-2-fluoro-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(4-trimethylsilylphenyl)methyl]benzamide (PubChem CID 88930016) has the molecular formula C27H25ClF7NOSi and a molecular weight of 576.03 g/mol. Its IUPAC name is 3-chloro-2-fluoro-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(4-trimethylsilylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(4-trimethylsilylphenyl)methyl]benzamide
PubChem CID88930016
Molecular FormulaC27H25ClF7NOSi
Molecular Weight576.03 g/mol
Exact Mass575.13
IUPAC Name3-chloro-2-fluoro-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(4-trimethylsilylphenyl)methyl]benzamide
SMILESC[Si](C)(C)c1ccc(CN(CCc2cccc(C(F)(F)F)c2)C(=O)c2cc(C(F)(F)F)cc(Cl)c2F)cc1
InChIInChI=1S/C27H25ClF7NOSi/c1-38(2,3)21-9-7-18(8-10-21)16-36(12-11-17-5-4-6-19(13-17)26(30,31)32)25(37)22-14-20(27(33,34)35)15-23(28)24(22)29/h4-10,13-15H,11-12,16H2,1-3H3
InChIKeySGCCGVKWUWCDSZ-UHFFFAOYSA-N
XLogP7.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.03
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-4-fluorophenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 88930033
N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[3-(3-chlorophenyl)propyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 88930081
N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(2-chloro-4-pyridinyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 24737788
2-amino-5-bromo-N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 68699008
N-[(4-tert-butylphenyl)methyl]-3-chloro-N-[2-(3-chloro-5-cyclopropylphenyl)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 88930092
5-chloro-N-[(4-cyclopropylphenyl)methyl]-2-(ethylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 68703247
5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-6-fluoro-N-[(4-trimethylsilylphenyl)methyl]-1H-indole-7-carboxamide
CID 24779978
5-chloro-N-[(4-cyclopropyl-3-fluorophenyl)methyl]-2-(ethylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 68699676
N-[(4-tert-butylphenyl)methyl]-4-fluoro-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-7-carboxamide
CID 86603128
N-[(4-tert-butylphenyl)methyl]-N-[2-(3,4-dichlorophenyl)ethyl]-2-fluoropyridine-3-carboxamide
CID 24738252
5-chloro-2-(cyanomethylamino)-N-[(4-cyclopropylphenyl)methyl]-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 87542922
N-[(4-chlorophenyl)methyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 13478469

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(4-trimethylsilylphenyl)methyl]benzamide?
The IUPAC name of 3-chloro-2-fluoro-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(4-trimethylsilylphenyl)methyl]benzamide (CID 88930016) is 3-chloro-2-fluoro-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(4-trimethylsilylphenyl)methyl]benzamide.
What is the SMILES notation for 3-chloro-2-fluoro-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(4-trimethylsilylphenyl)methyl]benzamide?
The canonical SMILES for 3-chloro-2-fluoro-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(4-trimethylsilylphenyl)methyl]benzamide is C[Si](C)(C)c1ccc(CN(CCc2cccc(C(F)(F)F)c2)C(=O)c2cc(C(F)(F)F)cc(Cl)c2F)cc1.
What is the InChIKey of 3-chloro-2-fluoro-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(4-trimethylsilylphenyl)methyl]benzamide?
The InChIKey is SGCCGVKWUWCDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF7NOSi/c1-38(2,3)21-9-7-18(8-10-21)16-36(12-11-17-5-4-6-19(13-17)26(30,31)32)25(37)22-14-20(27(33,34)35)15-23(28)24(22)29/h4-10,13-15H,11-12,16H2,1-3H3.
What are the key properties of 3-chloro-2-fluoro-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(4-trimethylsilylphenyl)methyl]benzamide?
3-chloro-2-fluoro-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(4-trimethylsilylphenyl)methyl]benzamide has a molecular weight of 576.03 g/mol, XLogP of 7.95, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(4-trimethylsilylphenyl)methyl]benzamide is sourced from PubChem (CID 88930016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).