4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide

C19H15FN2O2 — CID 58337454

IUPAC4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide
SMILESCc1cc(C(=O)Nc2cccc(Oc3cccnc3)c2)ccc1F
InChIInChI=1S/C19H15FN2O2/c1-13-10-14(7-8-18(13)20)19(23)22-15-4-2-5-16(11-15)24-17-6-3-9-21-12-17/h2-12H,1H3,(H,22,23)
InChIKeyUKJHYMIVILONMT-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.57
Rot. Bonds4

About 4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide

4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide (PubChem CID 58337454) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide
PubChem CID58337454
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide
SMILESCc1cc(C(=O)Nc2cccc(Oc3cccnc3)c2)ccc1F
InChIInChI=1S/C19H15FN2O2/c1-13-10-14(7-8-18(13)20)19(23)22-15-4-2-5-16(11-15)24-17-6-3-9-21-12-17/h2-12H,1H3,(H,22,23)
InChIKeyUKJHYMIVILONMT-UHFFFAOYSA-N
XLogP4.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide (CID 58337454) is 4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide is Cc1cc(C(=O)Nc2cccc(Oc3cccnc3)c2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide?
The InChIKey is UKJHYMIVILONMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c1-13-10-14(7-8-18(13)20)19(23)22-15-4-2-5-16(11-15)24-17-6-3-9-21-12-17/h2-12H,1H3,(H,22,23).
What are the key properties of 4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide?
4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide has a molecular weight of 322.34 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide is sourced from PubChem (CID 58337454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).