2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide

C16H14Cl2N4O2 — CID 86022306

IUPAC2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(/N=N/c2ccc(NC(=O)CCl)cc2)cc1
InChIInChI=1S/C16H14Cl2N4O2/c17-9-15(23)19-11-1-5-13(6-2-11)21-22-14-7-3-12(4-8-14)20-16(24)10-18/h1-8H,9-10H2,(H,19,23)(H,20,24)/b22-21+
InChIKeyHOOFKHXFMDSGBO-QURGRASLSA-N
MW365.22 g/mol
LogP4.46
Rot. Bonds6

About 2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide

2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide (PubChem CID 86022306) has the molecular formula C16H14Cl2N4O2 and a molecular weight of 365.22 g/mol. Its IUPAC name is 2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide
PubChem CID86022306
Molecular FormulaC16H14Cl2N4O2
Molecular Weight365.22 g/mol
Exact Mass364.05
IUPAC Name2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(/N=N/c2ccc(NC(=O)CCl)cc2)cc1
InChIInChI=1S/C16H14Cl2N4O2/c17-9-15(23)19-11-1-5-13(6-2-11)21-22-14-7-3-12(4-8-14)20-16(24)10-18/h1-8H,9-10H2,(H,19,23)(H,20,24)/b22-21+
InChIKeyHOOFKHXFMDSGBO-QURGRASLSA-N
XLogP4.46
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 54.46
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-[4-(sulfonylamino)phenyl]acetamide
CID 87887143
N-(4-aminophenyl)-2-chloroacetamide
CID 17325387
2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
2-chloro-N-[4-[1-(dimethylamino)ethylideneamino]phenyl]acetamide
CID 21392875
[8-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]-7-hydroxynaphthalen-2-yl]-dimethylazanium
CID 143834307
2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide
CID 161093004
3-(phenylcarbamoylamino)-N-(4-phenyldiazenylphenyl)propanamide
CID 55342078
2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979
3-methyl-N-(4-phenyldiazenylphenyl)butanamide
CID 4650351
2-chloro-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 2782070
2-chloro-N-(4-phenylsulfanylphenyl)acetamide
CID 12734393
2-chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]acetamide
CID 2847090

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide (CID 86022306) is 2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide is O=C(CCl)Nc1ccc(/N=N/c2ccc(NC(=O)CCl)cc2)cc1.
What is the InChIKey of 2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide?
The InChIKey is HOOFKHXFMDSGBO-QURGRASLSA-N. The full InChI is InChI=1S/C16H14Cl2N4O2/c17-9-15(23)19-11-1-5-13(6-2-11)21-22-14-7-3-12(4-8-14)20-16(24)10-18/h1-8H,9-10H2,(H,19,23)(H,20,24)/b22-21+.
What are the key properties of 2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide?
2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide has a molecular weight of 365.22 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide is sourced from PubChem (CID 86022306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).