N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)acetamide

C19H19ClFNO4S — CID 3424191

IUPACN-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)N(Cc1ccc(Cl)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H19ClFNO4S/c20-15-3-1-14(2-4-15)11-22(17-9-10-27(24,25)13-17)19(23)12-26-18-7-5-16(21)6-8-18/h1-8,17H,9-13H2
InChIKeyPRVGXOXHLGLNLH-UHFFFAOYSA-N
MW411.88 g/mol
LogP3.07
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)acetamide

N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)acetamide (PubChem CID 3424191) has the molecular formula C19H19ClFNO4S and a molecular weight of 411.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)acetamide
PubChem CID3424191
Molecular FormulaC19H19ClFNO4S
Molecular Weight411.88 g/mol
Exact Mass411.07
IUPAC NameN-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)N(Cc1ccc(Cl)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H19ClFNO4S/c20-15-3-1-14(2-4-15)11-22(17-9-10-27(24,25)13-17)19(23)12-26-18-7-5-16(21)6-8-18/h1-8,17H,9-13H2
InChIKeyPRVGXOXHLGLNLH-UHFFFAOYSA-N
XLogP3.07
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.88
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)acetamide (CID 3424191) is N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)acetamide is O=C(COc1ccc(F)cc1)N(Cc1ccc(Cl)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)acetamide?
The InChIKey is PRVGXOXHLGLNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO4S/c20-15-3-1-14(2-4-15)11-22(17-9-10-27(24,25)13-17)19(23)12-26-18-7-5-16(21)6-8-18/h1-8,17H,9-13H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)acetamide?
N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)acetamide has a molecular weight of 411.88 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 3424191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).