2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide

C19H11Cl4N3O3 — CID 70629375

IUPAC2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1ccc(Oc2ncc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C19H11Cl4N3O3/c20-10-7-15(23)18(24-9-10)29-16-6-5-11(8-14(16)22)25-19(28)26-17(27)12-3-1-2-4-13(12)21/h1-9H,(H2,25,26,27,28)
InChIKeyXXKHRKMZGDDRIN-UHFFFAOYSA-N
MW471.13 g/mol
LogP6.45
Rot. Bonds4

About 2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide

2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide (PubChem CID 70629375) has the molecular formula C19H11Cl4N3O3 and a molecular weight of 471.13 g/mol. Its IUPAC name is 2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
PubChem CID70629375
Molecular FormulaC19H11Cl4N3O3
Molecular Weight471.13 g/mol
Exact Mass468.96
IUPAC Name2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1ccc(Oc2ncc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C19H11Cl4N3O3/c20-10-7-15(23)18(24-9-10)29-16-6-5-11(8-14(16)22)25-19(28)26-17(27)12-3-1-2-4-13(12)21/h1-9H,(H2,25,26,27,28)
InChIKeyXXKHRKMZGDDRIN-UHFFFAOYSA-N
XLogP6.45
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.13
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 13254511
2-chloro-N-[(3-chloro-4-phenoxyphenyl)carbamoyl]benzamide
CID 13186092
2-chloro-N-[[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]-3-methylphenyl]carbamoyl]benzamide
CID 19072978
2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285
N-[[3,5-dichloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]-2-fluorobenzamide
CID 19072887
N-[(3,4-dichlorophenyl)carbamoyl]-2-methoxybenzamide
CID 19796862
2-chloro-N-[[3-chloro-4-(phenoxymethyl)phenyl]carbamoyl]benzamide
CID 70576608
2-(2,4-dichlorophenoxy)-N-[(3,5-dichlorophenyl)carbamoyl]benzamide
CID 2805241
2-(2-aminopropanoylamino)-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chlorophenyl]carbamoyl]benzamide
CID 15295814
2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
CID 19073039
2-chloro-N-[(3-chloro-4-phenylphenyl)carbamoyl]benzamide
CID 134092649
2-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoylcarbamoyl]-N-hydroxybenzeneamine oxide
CID 21141267

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide (CID 70629375) is 2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide is O=C(NC(=O)c1ccccc1Cl)Nc1ccc(Oc2ncc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide?
The InChIKey is XXKHRKMZGDDRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl4N3O3/c20-10-7-15(23)18(24-9-10)29-16-6-5-11(8-14(16)22)25-19(28)26-17(27)12-3-1-2-4-13(12)21/h1-9H,(H2,25,26,27,28).
What are the key properties of 2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide?
2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide has a molecular weight of 471.13 g/mol, XLogP of 6.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide is sourced from PubChem (CID 70629375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).