N-benzyl-3,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide

C18H17Cl2NO3S — CID 8781845

IUPACN-benzyl-3,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(c1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H17Cl2NO3S/c19-16-7-6-14(10-17(16)20)18(22)21(11-13-4-2-1-3-5-13)15-8-9-25(23,24)12-15/h1-7,10,15H,8-9,11-12H2/t15-/m1/s1
InChIKeyAPFZTLLSVJMEAB-OAHLLOKOSA-N
MW398.31 g/mol
LogP3.82
Rot. Bonds4

About N-benzyl-3,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide

N-benzyl-3,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide (PubChem CID 8781845) has the molecular formula C18H17Cl2NO3S and a molecular weight of 398.31 g/mol. Its IUPAC name is N-benzyl-3,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide.

Molecular Properties

Compound NameN-benzyl-3,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
PubChem CID8781845
Molecular FormulaC18H17Cl2NO3S
Molecular Weight398.31 g/mol
Exact Mass397.03
IUPAC NameN-benzyl-3,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
SMILESO=C(c1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C18H17Cl2NO3S/c19-16-7-6-14(10-17(16)20)18(22)21(11-13-4-2-1-3-5-13)15-8-9-25(23,24)12-15/h1-7,10,15H,8-9,11-12H2/t15-/m1/s1
InChIKeyAPFZTLLSVJMEAB-OAHLLOKOSA-N
XLogP3.82
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7198186
N-[(4-chlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7588591
N-benzyl-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzamide
CID 665750
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(trifluoromethyl)benzamide
CID 8781843
3-chloro-N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 3708910
3-chloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 17014014
N-benzyl-3-(difluoromethoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 8781850
N-benzyl-3,4,6-trichloro-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide
CID 3808929
N-benzyl-3,4,6-trichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-1-benzothiophene-2-carboxamide
CID 41065177
N-[(3-bromophenyl)methyl]-4-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 41003695
N-benzyl-5-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-1H-pyrazole-3-carboxamide
CID 94014326
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 40643549

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The IUPAC name of N-benzyl-3,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide (CID 8781845) is N-benzyl-3,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide.
What is the SMILES notation for N-benzyl-3,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The canonical SMILES for N-benzyl-3,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide is O=C(c1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-benzyl-3,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
The InChIKey is APFZTLLSVJMEAB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17Cl2NO3S/c19-16-7-6-14(10-17(16)20)18(22)21(11-13-4-2-1-3-5-13)15-8-9-25(23,24)12-15/h1-7,10,15H,8-9,11-12H2/t15-/m1/s1.
What are the key properties of N-benzyl-3,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide?
N-benzyl-3,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide has a molecular weight of 398.31 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,4-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide is sourced from PubChem (CID 8781845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).