N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide

C18H17ClFNO3S — CID 2945227

IUPACN-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
SMILESO=C(c1ccccc1F)N(Cc1ccccc1Cl)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H17ClFNO3S/c19-16-7-3-1-5-13(16)11-21(14-9-10-25(23,24)12-14)18(22)15-6-2-4-8-17(15)20/h1-8,14H,9-12H2
InChIKeyHTLWTGFQVNLIAT-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.31
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide

N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide (PubChem CID 2945227) has the molecular formula C18H17ClFNO3S and a molecular weight of 381.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
PubChem CID2945227
Molecular FormulaC18H17ClFNO3S
Molecular Weight381.86 g/mol
Exact Mass381.06
IUPAC NameN-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
SMILESO=C(c1ccccc1F)N(Cc1ccccc1Cl)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H17ClFNO3S/c19-16-7-3-1-5-13(16)11-21(14-9-10-25(23,24)12-14)18(22)15-6-2-4-8-17(15)20/h1-8,14H,9-12H2
InChIKeyHTLWTGFQVNLIAT-UHFFFAOYSA-N
XLogP3.31
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide (CID 2945227) is N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide is O=C(c1ccccc1F)N(Cc1ccccc1Cl)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide?
The InChIKey is HTLWTGFQVNLIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO3S/c19-16-7-3-1-5-13(16)11-21(14-9-10-25(23,24)12-14)18(22)15-6-2-4-8-17(15)20/h1-8,14H,9-12H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide?
N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide has a molecular weight of 381.86 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide is sourced from PubChem (CID 2945227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).