N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-3-fluorobenzamide

C18H19FN2O3S — CID 112983863

IUPACN-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-3-fluorobenzamide
SMILESCN(c1ccc(NC(=O)c2cccc(F)c2)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H19FN2O3S/c1-21(17-9-10-25(23,24)12-17)16-7-5-15(6-8-16)20-18(22)13-3-2-4-14(19)11-13/h2-8,11,17H,9-10,12H2,1H3,(H,20,22)
InChIKeyDWXWBGXQILDJBD-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.70
Rot. Bonds4

About N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-3-fluorobenzamide

N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-3-fluorobenzamide (PubChem CID 112983863) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-3-fluorobenzamide
PubChem CID112983863
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC NameN-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-3-fluorobenzamide
SMILESCN(c1ccc(NC(=O)c2cccc(F)c2)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H19FN2O3S/c1-21(17-9-10-25(23,24)12-17)16-7-5-15(6-8-16)20-18(22)13-3-2-4-14(19)11-13/h2-8,11,17H,9-10,12H2,1H3,(H,20,22)
InChIKeyDWXWBGXQILDJBD-UHFFFAOYSA-N
XLogP2.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 112994249
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3-fluorobenzamide
CID 25471531
N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-3-fluorobenzamide
CID 113056033
N-(3-acetylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
CID 109193326
3-chloro-N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]benzamide
CID 113013695
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 3-fluorobenzoate
CID 2523853
N'-(1,1-dioxothiolan-3-yl)-N-(3-fluorophenyl)-N'-methylpropanediamide
CID 108949267
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-pyridinyl]-4-fluorobenzamide
CID 113013680
N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-2-phenylacetamide
CID 112983871
4-[(1,1-dioxothiolan-3-yl)-methylamino]benzoic acid
CID 43648875
N-(4-acetylphenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]pyrimidine-5-carboxamide
CID 109261044
2-(4-chlorophenyl)-N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]acetamide
CID 112983873

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-3-fluorobenzamide?
The IUPAC name of N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-3-fluorobenzamide (CID 112983863) is N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-3-fluorobenzamide?
The canonical SMILES for N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-3-fluorobenzamide is CN(c1ccc(NC(=O)c2cccc(F)c2)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-3-fluorobenzamide?
The InChIKey is DWXWBGXQILDJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-21(17-9-10-25(23,24)12-17)16-7-5-15(6-8-16)20-18(22)13-3-2-4-14(19)11-13/h2-8,11,17H,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-3-fluorobenzamide?
N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-3-fluorobenzamide has a molecular weight of 362.43 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-3-fluorobenzamide is sourced from PubChem (CID 112983863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).