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

C19H15ClFN3O — CID 11451124

IUPAC4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide
SMILESCCc1ccnc(NC(=O)c2ccc(-c3ncccc3Cl)cc2F)c1
InChIInChI=1S/C19H15ClFN3O/c1-2-12-7-9-22-17(10-12)24-19(25)14-6-5-13(11-16(14)21)18-15(20)4-3-8-23-18/h3-11H,2H2,1H3,(H,22,24,25)
InChIKeyJWUUUMWGJZFFQL-UHFFFAOYSA-N
MW355.80 g/mol
LogP4.75
Rot. Bonds4

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

4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide (PubChem CID 11451124) has the molecular formula C19H15ClFN3O and a molecular weight of 355.80 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide
PubChem CID11451124
Molecular FormulaC19H15ClFN3O
Molecular Weight355.80 g/mol
Exact Mass355.09
IUPAC Name4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide
SMILESCCc1ccnc(NC(=O)c2ccc(-c3ncccc3Cl)cc2F)c1
InChIInChI=1S/C19H15ClFN3O/c1-2-12-7-9-22-17(10-12)24-19(25)14-6-5-13(11-16(14)21)18-15(20)4-3-8-23-18/h3-11H,2H2,1H3,(H,22,24,25)
InChIKeyJWUUUMWGJZFFQL-UHFFFAOYSA-N
XLogP4.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide (CID 11451124) is 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide is CCc1ccnc(NC(=O)c2ccc(-c3ncccc3Cl)cc2F)c1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide?
The InChIKey is JWUUUMWGJZFFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O/c1-2-12-7-9-22-17(10-12)24-19(25)14-6-5-13(11-16(14)21)18-15(20)4-3-8-23-18/h3-11H,2H2,1H3,(H,22,24,25).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide?
4-(3-chloro-2-pyridinyl)-N-(4-ethyl-2-pyridinyl)-2-fluorobenzamide has a molecular weight of 355.80 g/mol, XLogP of 4.75, 4 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-(4-ethyl-2-pyridinyl)-2-fluorobenzamide is sourced from PubChem (CID 11451124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).