[2,4-dichloro-6-[(3-chlorophenyl)carbamoyl]phenyl] hypochlorite

C13H7Cl4NO2 — CID 22561455

IUPAC[2,4-dichloro-6-[(3-chlorophenyl)carbamoyl]phenyl] hypochlorite
SMILESO=C(Nc1cccc(Cl)c1)c1cc(Cl)cc(Cl)c1OCl
InChIInChI=1S/C13H7Cl4NO2/c14-7-2-1-3-9(4-7)18-13(19)10-5-8(15)6-11(16)12(10)20-17/h1-6H,(H,18,19)
InChIKeyVICBWLXWYUXKGV-UHFFFAOYSA-N
MW351.02 g/mol
LogP5.43
Rot. Bonds3

About [2,4-dichloro-6-[(3-chlorophenyl)carbamoyl]phenyl] hypochlorite

[2,4-dichloro-6-[(3-chlorophenyl)carbamoyl]phenyl] hypochlorite (PubChem CID 22561455) has the molecular formula C13H7Cl4NO2 and a molecular weight of 351.02 g/mol. Its IUPAC name is [2,4-dichloro-6-[(3-chlorophenyl)carbamoyl]phenyl] hypochlorite.

Molecular Properties

Compound Name[2,4-dichloro-6-[(3-chlorophenyl)carbamoyl]phenyl] hypochlorite
PubChem CID22561455
Molecular FormulaC13H7Cl4NO2
Molecular Weight351.02 g/mol
Exact Mass348.92
IUPAC Name[2,4-dichloro-6-[(3-chlorophenyl)carbamoyl]phenyl] hypochlorite
SMILESO=C(Nc1cccc(Cl)c1)c1cc(Cl)cc(Cl)c1OCl
InChIInChI=1S/C13H7Cl4NO2/c14-7-2-1-3-9(4-7)18-13(19)10-5-8(15)6-11(16)12(10)20-17/h1-6H,(H,18,19)
InChIKeyVICBWLXWYUXKGV-UHFFFAOYSA-N
XLogP5.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.02
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[3-[(3,5-dichloro-2-methoxybenzoyl)amino]phenyl]thiophene-2-carboxamide
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5-chloro-N-(3-chlorophenyl)-2-hydrazinylbenzamide
CID 55052324
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 81225135
2-chloro-N-(3-chlorophenyl)-3-methoxybenzamide
CID 45051393
N-(3-acetamidophenyl)-5-chloro-2-methoxy-3-methylbenzamide
CID 110762997
3,5-dibromo-N-(3-chlorophenyl)-2-methoxybenzamide
CID 3324491
5-bromo-N-(3-chlorophenyl)-2-methoxy-3-methylbenzamide
CID 3353174
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide
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N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544

Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-6-[(3-chlorophenyl)carbamoyl]phenyl] hypochlorite?
The IUPAC name of [2,4-dichloro-6-[(3-chlorophenyl)carbamoyl]phenyl] hypochlorite (CID 22561455) is [2,4-dichloro-6-[(3-chlorophenyl)carbamoyl]phenyl] hypochlorite.
What is the SMILES notation for [2,4-dichloro-6-[(3-chlorophenyl)carbamoyl]phenyl] hypochlorite?
The canonical SMILES for [2,4-dichloro-6-[(3-chlorophenyl)carbamoyl]phenyl] hypochlorite is O=C(Nc1cccc(Cl)c1)c1cc(Cl)cc(Cl)c1OCl.
What is the InChIKey of [2,4-dichloro-6-[(3-chlorophenyl)carbamoyl]phenyl] hypochlorite?
The InChIKey is VICBWLXWYUXKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4NO2/c14-7-2-1-3-9(4-7)18-13(19)10-5-8(15)6-11(16)12(10)20-17/h1-6H,(H,18,19).
What are the key properties of [2,4-dichloro-6-[(3-chlorophenyl)carbamoyl]phenyl] hypochlorite?
[2,4-dichloro-6-[(3-chlorophenyl)carbamoyl]phenyl] hypochlorite has a molecular weight of 351.02 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-dichloro-6-[(3-chlorophenyl)carbamoyl]phenyl] hypochlorite is sourced from PubChem (CID 22561455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).