4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide

C17H10Cl2FN3O — CID 11222190

IUPAC4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(-c2ncccc2Cl)cc1F
InChIInChI=1S/C17H10Cl2FN3O/c18-13-2-1-7-21-16(13)10-3-5-12(14(20)8-10)17(24)23-11-4-6-15(19)22-9-11/h1-9H,(H,23,24)
InChIKeyXIOXDMCXJMHKKN-UHFFFAOYSA-N
MW362.19 g/mol
LogP4.84
Rot. Bonds3

About 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide

4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide (PubChem CID 11222190) has the molecular formula C17H10Cl2FN3O and a molecular weight of 362.19 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide
PubChem CID11222190
Molecular FormulaC17H10Cl2FN3O
Molecular Weight362.19 g/mol
Exact Mass361.02
IUPAC Name4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)nc1)c1ccc(-c2ncccc2Cl)cc1F
InChIInChI=1S/C17H10Cl2FN3O/c18-13-2-1-7-21-16(13)10-3-5-12(14(20)8-10)17(24)23-11-4-6-15(19)22-9-11/h1-9H,(H,23,24)
InChIKeyXIOXDMCXJMHKKN-UHFFFAOYSA-N
XLogP4.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide (CID 11222190) is 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide is O=C(Nc1ccc(Cl)nc1)c1ccc(-c2ncccc2Cl)cc1F.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide?
The InChIKey is XIOXDMCXJMHKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2FN3O/c18-13-2-1-7-21-16(13)10-3-5-12(14(20)8-10)17(24)23-11-4-6-15(19)22-9-11/h1-9H,(H,23,24).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide?
4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide has a molecular weight of 362.19 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-fluorobenzamide is sourced from PubChem (CID 11222190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).