N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-3-fluorobenzamide

C15H19FN2O4S — CID 113056033

IUPACN-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-3-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(F)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H19FN2O4S/c1-11(19)18(14-5-8-23(21,22)10-14)7-6-17-15(20)12-3-2-4-13(16)9-12/h2-4,9,14H,5-8,10H2,1H3,(H,17,20)
InChIKeyYZAUZODLNUPGDE-UHFFFAOYSA-N
MW342.39 g/mol
LogP0.59
Rot. Bonds5

About N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-3-fluorobenzamide

N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-3-fluorobenzamide (PubChem CID 113056033) has the molecular formula C15H19FN2O4S and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-3-fluorobenzamide
PubChem CID113056033
Molecular FormulaC15H19FN2O4S
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC NameN-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-3-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(F)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H19FN2O4S/c1-11(19)18(14-5-8-23(21,22)10-14)7-6-17-15(20)12-3-2-4-13(16)9-12/h2-4,9,14H,5-8,10H2,1H3,(H,17,20)
InChIKeyYZAUZODLNUPGDE-UHFFFAOYSA-N
XLogP0.59
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 50.59
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-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113056066
N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-2,6-dimethoxybenzamide
CID 113056040
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide
CID 113052148
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3-fluorobenzamide
CID 25471531
N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-3-fluorobenzamide
CID 112983863
N-butyl-N-(1,1-dioxothiolan-3-yl)-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
CID 55870957
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]-3-methylbenzamide
CID 40643489
1-(1,1-dioxothiolan-3-yl)-3-[2-(3-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea
CID 108901231
N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 40643505
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]-3-fluorobenzamide
CID 113063846
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 3-fluorobenzoate
CID 2523853

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-3-fluorobenzamide (CID 113056033) is N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-3-fluorobenzamide is CC(=O)N(CCNC(=O)c1cccc(F)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-3-fluorobenzamide?
The InChIKey is YZAUZODLNUPGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4S/c1-11(19)18(14-5-8-23(21,22)10-14)7-6-17-15(20)12-3-2-4-13(16)9-12/h2-4,9,14H,5-8,10H2,1H3,(H,17,20).
What are the key properties of N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-3-fluorobenzamide?
N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-3-fluorobenzamide has a molecular weight of 342.39 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-(1,1-dioxothiolan-3-yl)amino]ethyl]-3-fluorobenzamide is sourced from PubChem (CID 113056033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).