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

C18H16Cl2FNO3S — CID 18817930

IUPAC2,4-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(c1ccc(Cl)cc1Cl)N(Cc1ccc(F)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H16Cl2FNO3S/c19-13-3-6-16(17(20)9-13)18(23)22(15-7-8-26(24,25)11-15)10-12-1-4-14(21)5-2-12/h1-6,9,15H,7-8,10-11H2
InChIKeyOPUYMHPFMMGHAZ-UHFFFAOYSA-N
MW416.30 g/mol
LogP3.96
Rot. Bonds4

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

2,4-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 18817930) has the molecular formula C18H16Cl2FNO3S and a molecular weight of 416.30 g/mol. Its IUPAC name is 2,4-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID18817930
Molecular FormulaC18H16Cl2FNO3S
Molecular Weight416.30 g/mol
Exact Mass415.02
IUPAC Name2,4-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide
SMILESO=C(c1ccc(Cl)cc1Cl)N(Cc1ccc(F)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H16Cl2FNO3S/c19-13-3-6-16(17(20)9-13)18(23)22(15-7-8-26(24,25)11-15)10-12-1-4-14(21)5-2-12/h1-6,9,15H,7-8,10-11H2
InChIKeyOPUYMHPFMMGHAZ-UHFFFAOYSA-N
XLogP3.96
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.30
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-4-fluorobenzamide
CID 7544494
5-(2,5-dichlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 35346467
2,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 35122106
3,4,6-trichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide
CID 18818237
3-chloro-N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 3708910
N-[(4-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-methoxybenzamide
CID 7509784
N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]-4-methylbenzamide
CID 18817810
N-benzyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide
CID 665750
N-[(4-chlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7588591
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(2-fluorophenyl)methyl]benzamide
CID 40643577
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 40643549
4-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-ethylphenyl)methyl]benzamide
CID 7461032

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide (CID 18817930) is 2,4-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide is O=C(c1ccc(Cl)cc1Cl)N(Cc1ccc(F)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2,4-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is OPUYMHPFMMGHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FNO3S/c19-13-3-6-16(17(20)9-13)18(23)22(15-7-8-26(24,25)11-15)10-12-1-4-14(21)5-2-12/h1-6,9,15H,7-8,10-11H2.
What are the key properties of 2,4-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide?
2,4-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 416.30 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 18817930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).