N-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]-2-fluorobenzamide

C19H21FN2O3S — CID 112984282

IUPACN-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]-2-fluorobenzamide
SMILESCCN(c1ccc(NC(=O)c2ccccc2F)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H21FN2O3S/c1-2-22(16-11-12-26(24,25)13-16)15-9-7-14(8-10-15)21-19(23)17-5-3-4-6-18(17)20/h3-10,16H,2,11-13H2,1H3,(H,21,23)
InChIKeyXZXMZJRAKPKHPM-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.09
Rot. Bonds5

About N-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]-2-fluorobenzamide

N-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]-2-fluorobenzamide (PubChem CID 112984282) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]-2-fluorobenzamide
PubChem CID112984282
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]-2-fluorobenzamide
SMILESCCN(c1ccc(NC(=O)c2ccccc2F)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H21FN2O3S/c1-2-22(16-11-12-26(24,25)13-16)15-9-7-14(8-10-15)21-19(23)17-5-3-4-6-18(17)20/h3-10,16H,2,11-13H2,1H3,(H,21,23)
InChIKeyXZXMZJRAKPKHPM-UHFFFAOYSA-N
XLogP3.09
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]carbamate
CID 112984308
2-chloro-N-[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-pyridinyl]benzamide
CID 113029205
4-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109215813
N-(2,6-difluorophenyl)-4-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide
CID 109215827
N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-2-methoxybenzamide
CID 113014130
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
CID 60605416
N-(4-cyanophenyl)-5-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridine-2-carboxamide
CID 109194044
N-(3,4-difluorophenyl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]pyrimidine-5-carboxamide
CID 109261795
N-(2,6-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide
CID 109123686
N-[6-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-3,4-difluorobenzamide
CID 113014143
[2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 8013835
6-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119315

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]-2-fluorobenzamide (CID 112984282) is N-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]-2-fluorobenzamide is CCN(c1ccc(NC(=O)c2ccccc2F)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]-2-fluorobenzamide?
The InChIKey is XZXMZJRAKPKHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-2-22(16-11-12-26(24,25)13-16)15-9-7-14(8-10-15)21-19(23)17-5-3-4-6-18(17)20/h3-10,16H,2,11-13H2,1H3,(H,21,23).
What are the key properties of N-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]-2-fluorobenzamide?
N-[4-[(1,1-dioxothiolan-3-yl)-ethylamino]phenyl]-2-fluorobenzamide has a molecular weight of 376.45 g/mol, XLogP of 3.09, 5 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)-ethylamino]phenyl]-2-fluorobenzamide is sourced from PubChem (CID 112984282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).