2,2-dichloro-N-[3-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]phenyl]acetamide

C17H10Cl4N2OS — CID 21100333

IUPAC2,2-dichloro-N-[3-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]phenyl]acetamide
SMILESO=C(Nc1cccc(-c2cnc(-c3c(Cl)cccc3Cl)s2)c1)C(Cl)Cl
InChIInChI=1S/C17H10Cl4N2OS/c18-11-5-2-6-12(19)14(11)17-22-8-13(25-17)9-3-1-4-10(7-9)23-16(24)15(20)21/h1-8,15H,(H,23,24)
InChIKeyCCHDFHNOAZQQSZ-UHFFFAOYSA-N
MW432.16 g/mol
LogP6.53
Rot. Bonds4

About 2,2-dichloro-N-[3-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]phenyl]acetamide

2,2-dichloro-N-[3-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]phenyl]acetamide (PubChem CID 21100333) has the molecular formula C17H10Cl4N2OS and a molecular weight of 432.16 g/mol. Its IUPAC name is 2,2-dichloro-N-[3-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[3-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]phenyl]acetamide
PubChem CID21100333
Molecular FormulaC17H10Cl4N2OS
Molecular Weight432.16 g/mol
Exact Mass429.93
IUPAC Name2,2-dichloro-N-[3-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]phenyl]acetamide
SMILESO=C(Nc1cccc(-c2cnc(-c3c(Cl)cccc3Cl)s2)c1)C(Cl)Cl
InChIInChI=1S/C17H10Cl4N2OS/c18-11-5-2-6-12(19)14(11)17-22-8-13(25-17)9-3-1-4-10(7-9)23-16(24)15(20)21/h1-8,15H,(H,23,24)
InChIKeyCCHDFHNOAZQQSZ-UHFFFAOYSA-N
XLogP6.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.16
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N-[3-[5-(2,6-dichlorophenyl)-1,2-oxazol-3-yl]phenyl]acetamide
CID 3007230
2,2-dichloro-N-[3-[(2,2-dichloroacetyl)amino]phenyl]acetamide
CID 840731
2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-thiazole
CID 21100331
2,2-dichloro-N-[3-[3-(2-chloro-6-cyclopentylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 10072482
2,2-dichloro-N-[3-(2-fluorophenyl)phenyl]acetamide
CID 71463068
2-(2,6-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 43156441
2,2-dichloro-N-[3-[3-[2-chloro-6-(2-morpholin-4-ylethoxy)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
CID 3007268
2,2-dichloro-N-[2-(2,6-dichlorophenyl)-5-(1,3-oxazol-2-yl)phenyl]acetamide
CID 91158209
1-(4-chlorophenyl)-3-[3-(2,6-dichlorophenyl)phenyl]urea
CID 135376465
2,2-dichloro-N-[3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]phenyl]acetamide
CID 3007241
2,2-dichloro-N-[3-[3-(3-methyl-2-pyridinyl)-1,2-oxazol-5-yl]phenyl]acetamide
CID 10361254
2,2-dichloro-N-[2-[3-(2,6-dichlorophenyl)-1,2-oxazol-5-yl]-4-pyridinyl]acetamide;phenylmethanesulfonic acid
CID 158697376

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[3-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]phenyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[3-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]phenyl]acetamide (CID 21100333) is 2,2-dichloro-N-[3-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]phenyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[3-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]phenyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[3-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]phenyl]acetamide is O=C(Nc1cccc(-c2cnc(-c3c(Cl)cccc3Cl)s2)c1)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[3-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]phenyl]acetamide?
The InChIKey is CCHDFHNOAZQQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl4N2OS/c18-11-5-2-6-12(19)14(11)17-22-8-13(25-17)9-3-1-4-10(7-9)23-16(24)15(20)21/h1-8,15H,(H,23,24).
What are the key properties of 2,2-dichloro-N-[3-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]phenyl]acetamide?
2,2-dichloro-N-[3-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]phenyl]acetamide has a molecular weight of 432.16 g/mol, XLogP of 6.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[3-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 21100333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).