N-(2-anilino-4-pyridinyl)-2,6-dichlorobenzamide

C18H13Cl2N3O — CID 59618117

IUPACN-(2-anilino-4-pyridinyl)-2,6-dichlorobenzamide
SMILESO=C(Nc1ccnc(Nc2ccccc2)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H13Cl2N3O/c19-14-7-4-8-15(20)17(14)18(24)23-13-9-10-21-16(11-13)22-12-5-2-1-3-6-12/h1-11H,(H2,21,22,23,24)
InChIKeyDAPDNKHRFLGXBE-UHFFFAOYSA-N
MW358.23 g/mol
LogP5.38
Rot. Bonds4

About N-(2-anilino-4-pyridinyl)-2,6-dichlorobenzamide

N-(2-anilino-4-pyridinyl)-2,6-dichlorobenzamide (PubChem CID 59618117) has the molecular formula C18H13Cl2N3O and a molecular weight of 358.23 g/mol. Its IUPAC name is N-(2-anilino-4-pyridinyl)-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-(2-anilino-4-pyridinyl)-2,6-dichlorobenzamide
PubChem CID59618117
Molecular FormulaC18H13Cl2N3O
Molecular Weight358.23 g/mol
Exact Mass357.04
IUPAC NameN-(2-anilino-4-pyridinyl)-2,6-dichlorobenzamide
SMILESO=C(Nc1ccnc(Nc2ccccc2)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H13Cl2N3O/c19-14-7-4-8-15(20)17(14)18(24)23-13-9-10-21-16(11-13)22-12-5-2-1-3-6-12/h1-11H,(H2,21,22,23,24)
InChIKeyDAPDNKHRFLGXBE-UHFFFAOYSA-N
XLogP5.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.23
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-4-pyridinyl)-2,6-dichlorobenzamide?
The IUPAC name of N-(2-anilino-4-pyridinyl)-2,6-dichlorobenzamide (CID 59618117) is N-(2-anilino-4-pyridinyl)-2,6-dichlorobenzamide.
What is the SMILES notation for N-(2-anilino-4-pyridinyl)-2,6-dichlorobenzamide?
The canonical SMILES for N-(2-anilino-4-pyridinyl)-2,6-dichlorobenzamide is O=C(Nc1ccnc(Nc2ccccc2)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(2-anilino-4-pyridinyl)-2,6-dichlorobenzamide?
The InChIKey is DAPDNKHRFLGXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O/c19-14-7-4-8-15(20)17(14)18(24)23-13-9-10-21-16(11-13)22-12-5-2-1-3-6-12/h1-11H,(H2,21,22,23,24).
What are the key properties of N-(2-anilino-4-pyridinyl)-2,6-dichlorobenzamide?
N-(2-anilino-4-pyridinyl)-2,6-dichlorobenzamide has a molecular weight of 358.23 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-4-pyridinyl)-2,6-dichlorobenzamide is sourced from PubChem (CID 59618117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).