2-chloro-N-[3,5-dichloro-4-[[2,6-dichloro-4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide

C16H10Cl6N4O2 — CID 102528845

IUPAC2-chloro-N-[3,5-dichloro-4-[[2,6-dichloro-4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide
SMILESO=C(CCl)Nc1cc(Cl)c(/N=N/c2c(Cl)cc(NC(=O)CCl)cc2Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl6N4O2/c17-5-13(27)23-7-1-9(19)15(10(20)2-7)25-26-16-11(21)3-8(4-12(16)22)24-14(28)6-18/h1-4H,5-6H2,(H,23,27)(H,24,28)/b26-25+
InChIKeyZSXLRUGFBOJTAC-OCEACIFDSA-N
MW503.00 g/mol
LogP7.07
Rot. Bonds6

About 2-chloro-N-[3,5-dichloro-4-[[2,6-dichloro-4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide

2-chloro-N-[3,5-dichloro-4-[[2,6-dichloro-4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide (PubChem CID 102528845) has the molecular formula C16H10Cl6N4O2 and a molecular weight of 503.00 g/mol. Its IUPAC name is 2-chloro-N-[3,5-dichloro-4-[[2,6-dichloro-4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3,5-dichloro-4-[[2,6-dichloro-4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide
PubChem CID102528845
Molecular FormulaC16H10Cl6N4O2
Molecular Weight503.00 g/mol
Exact Mass499.89
IUPAC Name2-chloro-N-[3,5-dichloro-4-[[2,6-dichloro-4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide
SMILESO=C(CCl)Nc1cc(Cl)c(/N=N/c2c(Cl)cc(NC(=O)CCl)cc2Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl6N4O2/c17-5-13(27)23-7-1-9(19)15(10(20)2-7)25-26-16-11(21)3-8(4-12(16)22)24-14(28)6-18/h1-4H,5-6H2,(H,23,27)(H,24,28)/b26-25+
InChIKeyZSXLRUGFBOJTAC-OCEACIFDSA-N
XLogP7.07
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.00
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide
CID 4608777
2-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]acetamide
CID 167990561
2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide
CID 86022306
2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979
5-[(2-chloroacetyl)amino]benzene-1,3-dicarboxylate
CID 6988728
2-chloro-N-[3-chloro-4-(2-chlorobenzoyl)phenyl]acetamide
CID 20507585
2-fluoro-N-(3,4,5-trichlorophenyl)acetamide
CID 169302976
3-amino-N-[4-chloro-3-[(2-chloroacetyl)amino]phenyl]propanamide
CID 82034449
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
2-chloro-N-[3-chloro-4-(dimethylsulfamoyl)phenyl]acetamide
CID 172616646
3-[(2-chloroacetyl)amino]-N-(2-chlorophenyl)benzamide
CID 164603585
N-(4-aminophenyl)-2-chloroacetamide
CID 17325387

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3,5-dichloro-4-[[2,6-dichloro-4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[3,5-dichloro-4-[[2,6-dichloro-4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide (CID 102528845) is 2-chloro-N-[3,5-dichloro-4-[[2,6-dichloro-4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3,5-dichloro-4-[[2,6-dichloro-4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3,5-dichloro-4-[[2,6-dichloro-4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide is O=C(CCl)Nc1cc(Cl)c(/N=N/c2c(Cl)cc(NC(=O)CCl)cc2Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[3,5-dichloro-4-[[2,6-dichloro-4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide?
The InChIKey is ZSXLRUGFBOJTAC-OCEACIFDSA-N. The full InChI is InChI=1S/C16H10Cl6N4O2/c17-5-13(27)23-7-1-9(19)15(10(20)2-7)25-26-16-11(21)3-8(4-12(16)22)24-14(28)6-18/h1-4H,5-6H2,(H,23,27)(H,24,28)/b26-25+.
What are the key properties of 2-chloro-N-[3,5-dichloro-4-[[2,6-dichloro-4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide?
2-chloro-N-[3,5-dichloro-4-[[2,6-dichloro-4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide has a molecular weight of 503.00 g/mol, XLogP of 7.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3,5-dichloro-4-[[2,6-dichloro-4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide is sourced from PubChem (CID 102528845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).