CID 155714376

C20H16Cl2FN4O4Si — CID 155714376

IUPAC—
SMILESO=C(COc1ccc(Cl)c(F)c1)N[Si]1CC[C@H](c2nnc(-c3ccc(Cl)cc3)o2)NC1=O
InChIInChI=1S/C20H16Cl2FN4O4Si/c21-12-3-1-11(2-4-12)18-25-26-19(31-18)16-7-8-32(20(29)24-16)27-17(28)10-30-13-5-6-14(22)15(23)9-13/h1-6,9,16H,7-8,10H2,(H,24,29)(H,27,28)/t16-/m1/s1
InChIKeyZFZOYULVXRQYJH-MRXNPFEDSA-N
MW494.36 g/mol
LogP4.11
Rot. Bonds6

About CID 155714376

CID 155714376 (PubChem CID 155714376) has the molecular formula C20H16Cl2FN4O4Si and a molecular weight of 494.36 g/mol.

Molecular Properties

Compound NameCID 155714376
PubChem CID155714376
Molecular FormulaC20H16Cl2FN4O4Si
Molecular Weight494.36 g/mol
Exact Mass493.03
IUPAC Name—
SMILESO=C(COc1ccc(Cl)c(F)c1)N[Si]1CC[C@H](c2nnc(-c3ccc(Cl)cc3)o2)NC1=O
InChIInChI=1S/C20H16Cl2FN4O4Si/c21-12-3-1-11(2-4-12)18-25-26-19(31-18)16-7-8-32(20(29)24-16)27-17(28)10-30-13-5-6-14(22)15(23)9-13/h1-6,9,16H,7-8,10H2,(H,24,29)(H,27,28)/t16-/m1/s1
InChIKeyZFZOYULVXRQYJH-MRXNPFEDSA-N
XLogP4.11
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.36
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-[[4-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]methyl]acetamide
CID 165399699
2-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(1S)-2,2-difluorocyclopropyl]-1,3,4-oxadiazol-2-yl]cyclobut-2-en-1-yl]acetamide
CID 167268216
2-(4-chloro-3-fluorophenoxy)-N-[5-(4-chlorophenyl)-1,3-oxazol-4-yl]acetamide
CID 175526889
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide
CID 165399649
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[3-(trifluoromethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
CID 165399670
2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[5-(4,4,4-trifluorobutoxy)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
CID 155234829
2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[5-[(2,2-difluorocyclopropyl)methoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
CID 155234692
CID 155714396
CID 155714396
2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[5-(2-cyclobutyloxyethoxy)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
CID 162689786
2-(4-chloro-3-fluorophenoxy)-N-ethenylacetamide
CID 155716981
N-(4-aminopiperidin-1-yl)-2-(4-chloro-3-fluorophenoxy)acetamide
CID 146457725
2-(4-chloro-3-fluorophenoxy)-N-[4-[3-(4-chlorophenyl)pyrrol-1-yl]-2-hydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 155774007

Frequently Asked Questions

What is the IUPAC name of CID 155714376?
The IUPAC name of CID 155714376 (CID 155714376) is not available.
What is the SMILES notation for CID 155714376?
The canonical SMILES for CID 155714376 is O=C(COc1ccc(Cl)c(F)c1)N[Si]1CC[C@H](c2nnc(-c3ccc(Cl)cc3)o2)NC1=O.
What is the InChIKey of CID 155714376?
The InChIKey is ZFZOYULVXRQYJH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H16Cl2FN4O4Si/c21-12-3-1-11(2-4-12)18-25-26-19(31-18)16-7-8-32(20(29)24-16)27-17(28)10-30-13-5-6-14(22)15(23)9-13/h1-6,9,16H,7-8,10H2,(H,24,29)(H,27,28)/t16-/m1/s1.
What are the key properties of CID 155714376?
CID 155714376 has a molecular weight of 494.36 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155714376 is sourced from PubChem (CID 155714376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).