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

C18H16Cl3NO3S — CID 35125691

IUPAC3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(c1cccc(Cl)c1)N(Cc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H16Cl3NO3S/c19-14-3-1-2-12(8-14)18(23)22(16-6-7-26(24,25)11-16)10-13-4-5-15(20)9-17(13)21/h1-5,8-9,16H,6-7,10-11H2/t16-/m1/s1
InChIKeyFQXJCSHHSAFWTG-MRXNPFEDSA-N
MW432.76 g/mol
LogP4.48
Rot. Bonds4

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

3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide (PubChem CID 35125691) has the molecular formula C18H16Cl3NO3S and a molecular weight of 432.76 g/mol. Its IUPAC name is 3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
PubChem CID35125691
Molecular FormulaC18H16Cl3NO3S
Molecular Weight432.76 g/mol
Exact Mass430.99
IUPAC Name3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(c1cccc(Cl)c1)N(Cc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H16Cl3NO3S/c19-14-3-1-2-12(8-14)18(23)22(16-6-7-26(24,25)11-16)10-13-4-5-15(20)9-17(13)21/h1-5,8-9,16H,6-7,10-11H2/t16-/m1/s1
InChIKeyFQXJCSHHSAFWTG-MRXNPFEDSA-N
XLogP4.48
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.76
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 3708910
4-tert-butyl-N-[(2,4-dichlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 35128857
N-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)naphthalene-1-carboxamide
CID 17014011
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 18573581
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 40643549
N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-4-prop-2-enoxybenzamide
CID 35125738
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)benzamide
CID 18573583
2-(2-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 35128910
N-[(2,4-dichlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 18879923
2-(4-chlorophenoxy)-N-[(2,4-dichlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 35128410
N-[(4-chlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7588591
N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-nitrobenzamide
CID 19120281

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide (CID 35125691) is 3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide is O=C(c1cccc(Cl)c1)N(Cc1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The InChIKey is FQXJCSHHSAFWTG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16Cl3NO3S/c19-14-3-1-2-12(8-14)18(23)22(16-6-7-26(24,25)11-16)10-13-4-5-15(20)9-17(13)21/h1-5,8-9,16H,6-7,10-11H2/t16-/m1/s1.
What are the key properties of 3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide has a molecular weight of 432.76 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2,4-dichlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide is sourced from PubChem (CID 35125691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).