4-(3-chloro-2-pyridinyl)-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide

C18H13ClFN3O2 — CID 11348871

IUPAC4-(3-chloro-2-pyridinyl)-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2F)cn1
InChIInChI=1S/C18H13ClFN3O2/c1-25-16-7-5-12(10-22-16)23-18(24)13-6-4-11(9-15(13)20)17-14(19)3-2-8-21-17/h2-10H,1H3,(H,23,24)
InChIKeyBXPOVPLCMHEZML-UHFFFAOYSA-N
MW357.77 g/mol
LogP4.20
Rot. Bonds4

About 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide

4-(3-chloro-2-pyridinyl)-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide (PubChem CID 11348871) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide
PubChem CID11348871
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC Name4-(3-chloro-2-pyridinyl)-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2F)cn1
InChIInChI=1S/C18H13ClFN3O2/c1-25-16-7-5-12(10-22-16)23-18(24)13-6-4-11(9-15(13)20)17-14(19)3-2-8-21-17/h2-10H,1H3,(H,23,24)
InChIKeyBXPOVPLCMHEZML-UHFFFAOYSA-N
XLogP4.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide (CID 11348871) is 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide is COc1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cc2F)cn1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide?
The InChIKey is BXPOVPLCMHEZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c1-25-16-7-5-12(10-22-16)23-18(24)13-6-4-11(9-15(13)20)17-14(19)3-2-8-21-17/h2-10H,1H3,(H,23,24).
What are the key properties of 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide?
4-(3-chloro-2-pyridinyl)-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide has a molecular weight of 357.77 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-2-fluoro-N-(6-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 11348871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).