4-(3-chloro-2-pyridinyl)-2-fluoro-N-pyridin-3-ylbenzamide

C17H11ClFN3O — CID 11438844

IUPAC4-(3-chloro-2-pyridinyl)-2-fluoro-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(-c2ncccc2Cl)cc1F
InChIInChI=1S/C17H11ClFN3O/c18-14-4-2-8-21-16(14)11-5-6-13(15(19)9-11)17(23)22-12-3-1-7-20-10-12/h1-10H,(H,22,23)
InChIKeyDNFOASZURNMDCK-UHFFFAOYSA-N
MW327.75 g/mol
LogP4.19
Rot. Bonds3

About 4-(3-chloro-2-pyridinyl)-2-fluoro-N-pyridin-3-ylbenzamide

4-(3-chloro-2-pyridinyl)-2-fluoro-N-pyridin-3-ylbenzamide (PubChem CID 11438844) has the molecular formula C17H11ClFN3O and a molecular weight of 327.75 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-2-fluoro-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-2-fluoro-N-pyridin-3-ylbenzamide
PubChem CID11438844
Molecular FormulaC17H11ClFN3O
Molecular Weight327.75 g/mol
Exact Mass327.06
IUPAC Name4-(3-chloro-2-pyridinyl)-2-fluoro-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cccnc1)c1ccc(-c2ncccc2Cl)cc1F
InChIInChI=1S/C17H11ClFN3O/c18-14-4-2-8-21-16(14)11-5-6-13(15(19)9-11)17(23)22-12-3-1-7-20-10-12/h1-10H,(H,22,23)
InChIKeyDNFOASZURNMDCK-UHFFFAOYSA-N
XLogP4.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.75
LogP ≤ 54.19
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)-2-fluoro-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-pyridin-3-ylbenzamide (CID 11438844) is 4-(3-chloro-2-pyridinyl)-2-fluoro-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-2-fluoro-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-2-fluoro-N-pyridin-3-ylbenzamide is O=C(Nc1cccnc1)c1ccc(-c2ncccc2Cl)cc1F.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-pyridin-3-ylbenzamide?
The InChIKey is DNFOASZURNMDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O/c18-14-4-2-8-21-16(14)11-5-6-13(15(19)9-11)17(23)22-12-3-1-7-20-10-12/h1-10H,(H,22,23).
What are the key properties of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-pyridin-3-ylbenzamide?
4-(3-chloro-2-pyridinyl)-2-fluoro-N-pyridin-3-ylbenzamide has a molecular weight of 327.75 g/mol, XLogP of 4.19, 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)-2-fluoro-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 11438844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).