2-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide

C18H17ClFNO3S — CID 2986407

IUPAC2-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(c1ccccc1Cl)N(Cc1ccc(F)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H17ClFNO3S/c19-17-4-2-1-3-16(17)18(22)21(15-9-10-25(23,24)12-15)11-13-5-7-14(20)8-6-13/h1-8,15H,9-12H2
InChIKeyCFETZRQKUZHBCH-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.31
Rot. Bonds4

About 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide

2-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 2986407) has the molecular formula C18H17ClFNO3S and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID2986407
Molecular FormulaC18H17ClFNO3S
Molecular Weight381.86 g/mol
Exact Mass381.06
IUPAC Name2-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(c1ccccc1Cl)N(Cc1ccc(F)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H17ClFNO3S/c19-17-4-2-1-3-16(17)18(22)21(15-9-10-25(23,24)12-15)11-13-5-7-14(20)8-6-13/h1-8,15H,9-12H2
InChIKeyCFETZRQKUZHBCH-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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Related Compounds

4-chloro-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide
CID 5233401
(2E)-N-(3-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylprop-2-enamide
CID 5904900
2,5-Dichloro-N-ethyl-N-(tetrahydro-1,1-dioxido-3-thienyl)benzamide
CID 18573599
(4-{[(2-Chlorobenzyl)sulfonyl]methyl}-4-hydroxypiperidino)[3-(trifluoromethyl)phenyl]methanone
CID 1478128
(2E)-N-(4-chlorobenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-phenylprop-2-enamide
CID 5784065
(2E)-N-benzyl-3-(2-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
CID 5881092
(E)-N-benzyl-3-(2,4-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
CID 6063910
(2E)-N-benzyl-3-(4-chlorophenyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)prop-2-enamide
CID 6298458
2-chloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 4416889
N-Allyl-N-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-benzamide
CID 6492162
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-fluoro-N-(4-fluorobenzyl)benzamide
CID 664975
N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-fluorobenzamide
CID 665750

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide (CID 2986407) is 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide is O=C(c1ccccc1Cl)N(Cc1ccc(F)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is CFETZRQKUZHBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO3S/c19-17-4-2-1-3-16(17)18(22)21(15-9-10-25(23,24)12-15)11-13-5-7-14(20)8-6-13/h1-8,15H,9-12H2.
What are the key properties of 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide?
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide 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 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 2986407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).