CID 163263592

C20H18ClF5N3O3Si — CID 163263592

IUPAC—
SMILESO=C(COc1ccc(Cl)c(F)c1)N[Si]1CC[C@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)NC1
InChIInChI=1S/C20H18ClF5N3O3Si/c21-14-3-2-12(8-16(14)23)32-9-18(30)29-33-6-5-17(27-10-33)19(31)28-11-1-4-15(22)13(7-11)20(24,25)26/h1-4,7-8,17,27H,5-6,9-10H2,(H,28,31)(H,29,30)/t17-/m1/s1
InChIKeyXIFJQELZTBBSSQ-QGZVFWFLSA-N
MW506.91 g/mol
LogP3.66
Rot. Bonds6

About CID 163263592

CID 163263592 (PubChem CID 163263592) has the molecular formula C20H18ClF5N3O3Si and a molecular weight of 506.91 g/mol.

Molecular Properties

Compound NameCID 163263592
PubChem CID163263592
Molecular FormulaC20H18ClF5N3O3Si
Molecular Weight506.91 g/mol
Exact Mass506.07
IUPAC Name—
SMILESO=C(COc1ccc(Cl)c(F)c1)N[Si]1CC[C@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)NC1
InChIInChI=1S/C20H18ClF5N3O3Si/c21-14-3-2-12(8-16(14)23)32-9-18(30)29-33-6-5-17(27-10-33)19(31)28-11-1-4-15(22)13(7-11)20(24,25)26/h1-4,7-8,17,27H,5-6,9-10H2,(H,28,31)(H,29,30)/t17-/m1/s1
InChIKeyXIFJQELZTBBSSQ-QGZVFWFLSA-N
XLogP3.66
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.91
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 163263486
5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-methoxyphenyl)piperidine-2-carboxamide
CID 175510792
(2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(trifluoromethoxy)-2-pyridinyl]piperidine-2-carboxamide
CID 163263500
2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-[4-fluoro-3-(trifluoromethyl)phenoxy]acetyl]amino]-3-hydroxybutyl]acetamide
CID 155303042
N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 134002141
5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(trifluoromethoxy)propyl]piperidine-2-carboxamide
CID 175510803
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 28551952
CID 155714325
CID 155714325
6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(4-chloro-3-fluorophenyl)-6-methylspiro[2.6]nonane-9-carboxamide
CID 170086636
N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281092
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19171329

Frequently Asked Questions

What is the IUPAC name of CID 163263592?
The IUPAC name of CID 163263592 (CID 163263592) is not available.
What is the SMILES notation for CID 163263592?
The canonical SMILES for CID 163263592 is O=C(COc1ccc(Cl)c(F)c1)N[Si]1CC[C@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)NC1.
What is the InChIKey of CID 163263592?
The InChIKey is XIFJQELZTBBSSQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H18ClF5N3O3Si/c21-14-3-2-12(8-16(14)23)32-9-18(30)29-33-6-5-17(27-10-33)19(31)28-11-1-4-15(22)13(7-11)20(24,25)26/h1-4,7-8,17,27H,5-6,9-10H2,(H,28,31)(H,29,30)/t17-/m1/s1.
What are the key properties of CID 163263592?
CID 163263592 has a molecular weight of 506.91 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163263592 is sourced from PubChem (CID 163263592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).