4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide

C18H10Cl4N4O2 — CID 3421055

IUPAC4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H10Cl4N4O2/c19-9-1-3-15(23-7-9)25-17(27)11-5-13(21)14(22)6-12(11)18(28)26-16-4-2-10(20)8-24-16/h1-8H,(H,23,25,27)(H,24,26,28)
InChIKeyQLABXHSINYWZTA-UHFFFAOYSA-N
MW456.12 g/mol
LogP5.59
Rot. Bonds4

About 4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide

4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide (PubChem CID 3421055) has the molecular formula C18H10Cl4N4O2 and a molecular weight of 456.12 g/mol. Its IUPAC name is 4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
PubChem CID3421055
Molecular FormulaC18H10Cl4N4O2
Molecular Weight456.12 g/mol
Exact Mass453.96
IUPAC Name4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H10Cl4N4O2/c19-9-1-3-15(23-7-9)25-17(27)11-5-13(21)14(22)6-12(11)18(28)26-16-4-2-10(20)8-24-16/h1-8H,(H,23,25,27)(H,24,26,28)
InChIKeyQLABXHSINYWZTA-UHFFFAOYSA-N
XLogP5.59
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.12
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(5-chloro-2-pyridinyl)-6-methylpyridine-3-carboxamide
CID 81225634
2-bromo-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 103611566
5-chloro-N-(5-chloro-2-pyridinyl)-2-hydrazinylbenzamide
CID 55051225
2-amino-N-(5-chloro-2-pyridinyl)-4,5-difluorobenzamide
CID 21072646
2-N,6-N-bis(5-chloro-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 3421113
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
2-N-(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 131737247
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
2,6-dichloro-N-(5-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 113227258
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
N-(5-chloro-2-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 28831587
N-(5-chloro-2-pyridinyl)-2,5-diethylbenzamide
CID 70908062

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide?
The IUPAC name of 4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide (CID 3421055) is 4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide?
The canonical SMILES for 4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide is O=C(Nc1ccc(Cl)cn1)c1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide?
The InChIKey is QLABXHSINYWZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl4N4O2/c19-9-1-3-15(23-7-9)25-17(27)11-5-13(21)14(22)6-12(11)18(28)26-16-4-2-10(20)8-24-16/h1-8H,(H,23,25,27)(H,24,26,28).
What are the key properties of 4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide?
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide has a molecular weight of 456.12 g/mol, XLogP of 5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 3421055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).