N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]carbamoyl]-4-chloro-2-fluorobenzamide

C20H24ClFN2O3Si — CID 169238137

IUPACN-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]carbamoyl]-4-chloro-2-fluorobenzamide
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(NC(=O)NC(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C20H24ClFN2O3Si/c1-20(2,3)28(4,5)27-15-8-6-7-14(12-15)23-19(26)24-18(25)16-10-9-13(21)11-17(16)22/h6-12H,1-5H3,(H2,23,24,25,26)
InChIKeySKPHPIOVVYKHJR-UHFFFAOYSA-N
MW422.96 g/mol
LogP5.82
Rot. Bonds4

About N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]carbamoyl]-4-chloro-2-fluorobenzamide

N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]carbamoyl]-4-chloro-2-fluorobenzamide (PubChem CID 169238137) has the molecular formula C20H24ClFN2O3Si and a molecular weight of 422.96 g/mol. Its IUPAC name is N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]carbamoyl]-4-chloro-2-fluorobenzamide.

Molecular Properties

Compound NameN-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]carbamoyl]-4-chloro-2-fluorobenzamide
PubChem CID169238137
Molecular FormulaC20H24ClFN2O3Si
Molecular Weight422.96 g/mol
Exact Mass422.12
IUPAC NameN-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]carbamoyl]-4-chloro-2-fluorobenzamide
SMILESCC(C)(C)[Si](C)(C)Oc1cccc(NC(=O)NC(=O)c2ccc(Cl)cc2F)c1
InChIInChI=1S/C20H24ClFN2O3Si/c1-20(2,3)28(4,5)27-15-8-6-7-14(12-15)23-19(26)24-18(25)16-10-9-13(21)11-17(16)22/h6-12H,1-5H3,(H2,23,24,25,26)
InChIKeySKPHPIOVVYKHJR-UHFFFAOYSA-N
XLogP5.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.96
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperazin-1-yl]phenyl]carbamoyl]-4-chloro-2-fluorobenzamide
CID 171060941
4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
CID 47311708
2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 15740316
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
4-bromo-2-fluoro-N-[(3-iodophenyl)carbamoyl]benzamide
CID 168875364
2,4-dichloro-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154669
4-chloro-2-fluoro-N-(3-propan-2-ylphenyl)benzamide
CID 27162860
2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 13254511
2-amino-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 108869162
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
tert-butyl-[3-[[2-fluoro-4-(trifluoromethyl)benzoyl]carbamoylamino]phenyl]carbamic acid
CID 170161493
N-[3-(difluoromethoxy)phenyl]-2-fluoro-4-methylbenzamide
CID 79782174

Frequently Asked Questions

What is the IUPAC name of N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]carbamoyl]-4-chloro-2-fluorobenzamide?
The IUPAC name of N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]carbamoyl]-4-chloro-2-fluorobenzamide (CID 169238137) is N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]carbamoyl]-4-chloro-2-fluorobenzamide.
What is the SMILES notation for N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]carbamoyl]-4-chloro-2-fluorobenzamide?
The canonical SMILES for N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]carbamoyl]-4-chloro-2-fluorobenzamide is CC(C)(C)[Si](C)(C)Oc1cccc(NC(=O)NC(=O)c2ccc(Cl)cc2F)c1.
What is the InChIKey of N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]carbamoyl]-4-chloro-2-fluorobenzamide?
The InChIKey is SKPHPIOVVYKHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN2O3Si/c1-20(2,3)28(4,5)27-15-8-6-7-14(12-15)23-19(26)24-18(25)16-10-9-13(21)11-17(16)22/h6-12H,1-5H3,(H2,23,24,25,26).
What are the key properties of N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]carbamoyl]-4-chloro-2-fluorobenzamide?
N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]carbamoyl]-4-chloro-2-fluorobenzamide has a molecular weight of 422.96 g/mol, XLogP of 5.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]carbamoyl]-4-chloro-2-fluorobenzamide is sourced from PubChem (CID 169238137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).