2-[(4-chloro-1,1-dioxothiolan-3-yl)amino]-N-(3,5-dichlorophenyl)acetamide

C12H13Cl3N2O3S — CID 164663526

IUPAC2-[(4-chloro-1,1-dioxothiolan-3-yl)amino]-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(CNC1CS(=O)(=O)CC1Cl)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H13Cl3N2O3S/c13-7-1-8(14)3-9(2-7)17-12(18)4-16-11-6-21(19,20)5-10(11)15/h1-3,10-11,16H,4-6H2,(H,17,18)
InChIKeyGWSYLNAACFKFJQ-UHFFFAOYSA-N
MW371.67 g/mol
LogP1.93
Rot. Bonds4

About 2-[(4-chloro-1,1-dioxothiolan-3-yl)amino]-N-(3,5-dichlorophenyl)acetamide

2-[(4-chloro-1,1-dioxothiolan-3-yl)amino]-N-(3,5-dichlorophenyl)acetamide (PubChem CID 164663526) has the molecular formula C12H13Cl3N2O3S and a molecular weight of 371.67 g/mol. Its IUPAC name is 2-[(4-chloro-1,1-dioxothiolan-3-yl)amino]-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chloro-1,1-dioxothiolan-3-yl)amino]-N-(3,5-dichlorophenyl)acetamide
PubChem CID164663526
Molecular FormulaC12H13Cl3N2O3S
Molecular Weight371.67 g/mol
Exact Mass369.97
IUPAC Name2-[(4-chloro-1,1-dioxothiolan-3-yl)amino]-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(CNC1CS(=O)(=O)CC1Cl)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H13Cl3N2O3S/c13-7-1-8(14)3-9(2-7)17-12(18)4-16-11-6-21(19,20)5-10(11)15/h1-3,10-11,16H,4-6H2,(H,17,18)
InChIKeyGWSYLNAACFKFJQ-UHFFFAOYSA-N
XLogP1.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.67
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylamino)-N-(3,5-dichlorophenyl)acetamide
CID 60647336
N-(4-chlorophenyl)-2-[(1,1-dioxothian-4-yl)amino]acetamide
CID 43615220
2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide
CID 60842452
N-(3,5-dichlorophenyl)-3-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]propanamide
CID 51721555
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-4-methylbenzamide
CID 46756068
N-(3-chlorophenyl)-2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]acetamide
CID 60693961
N-[(3R,4R)-4-chloro-1,1-dioxothiolan-3-yl]-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 8621441
N-(2,5-dichlorophenyl)-2-[2-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]ethylamino]acetamide
CID 164663413
1-(4-chloro-1,1-dioxothiolan-3-yl)-3-(4-fluorophenyl)urea
CID 43853153
N-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835369
2-(4-amino-N-(4-hydroxy-1,1-dioxothiolan-3-yl)anilino)-N-(3,5-dichlorophenyl)acetamide
CID 164663534
2,4-dichloro-N-[(3S,4R)-4-chloro-1,1-dioxothiolan-3-yl]benzamide
CID 7300612

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,1-dioxothiolan-3-yl)amino]-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[(4-chloro-1,1-dioxothiolan-3-yl)amino]-N-(3,5-dichlorophenyl)acetamide (CID 164663526) is 2-[(4-chloro-1,1-dioxothiolan-3-yl)amino]-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(4-chloro-1,1-dioxothiolan-3-yl)amino]-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(4-chloro-1,1-dioxothiolan-3-yl)amino]-N-(3,5-dichlorophenyl)acetamide is O=C(CNC1CS(=O)(=O)CC1Cl)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(4-chloro-1,1-dioxothiolan-3-yl)amino]-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is GWSYLNAACFKFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl3N2O3S/c13-7-1-8(14)3-9(2-7)17-12(18)4-16-11-6-21(19,20)5-10(11)15/h1-3,10-11,16H,4-6H2,(H,17,18).
What are the key properties of 2-[(4-chloro-1,1-dioxothiolan-3-yl)amino]-N-(3,5-dichlorophenyl)acetamide?
2-[(4-chloro-1,1-dioxothiolan-3-yl)amino]-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 371.67 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,1-dioxothiolan-3-yl)amino]-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 164663526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).