3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide

C19H21FN2O3 — CID 91629820

IUPAC3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NC(c2cccnc2)C2CCOCC2)cc1F
InChIInChI=1S/C19H21FN2O3/c1-24-17-5-4-14(11-16(17)20)19(23)22-18(13-6-9-25-10-7-13)15-3-2-8-21-12-15/h2-5,8,11-13,18H,6-7,9-10H2,1H3,(H,22,23)
InChIKeyPUQYAHVVGMJYFH-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.13
Rot. Bonds5

About 3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide

3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide (PubChem CID 91629820) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
PubChem CID91629820
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NC(c2cccnc2)C2CCOCC2)cc1F
InChIInChI=1S/C19H21FN2O3/c1-24-17-5-4-14(11-16(17)20)19(23)22-18(13-6-9-25-10-7-13)15-3-2-8-21-12-15/h2-5,8,11-13,18H,6-7,9-10H2,1H3,(H,22,23)
InChIKeyPUQYAHVVGMJYFH-UHFFFAOYSA-N
XLogP3.13
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[oxan-4-yl(pyridin-3-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 91629823
N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide
CID 100699381
3-fluoro-4-methoxy-N-pyridin-3-ylbenzamide
CID 25343484
2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
CID 91629797
2-methoxy-5-[[(R)-oxan-4-yl(pyridin-3-yl)methyl]sulfamoyl]benzamide
CID 100702775
1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 91629784
3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 91775812
6-bromo-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-3-carboxamide
CID 91629779
N-[cyclopropyl(pyridin-3-yl)methyl]-4-methoxy-1,3-dihydroisoindole-2-carboxamide
CID 146137683
3-fluoro-4-methoxy-N-(1-phenylethyl)benzamide
CID 51194681
N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 100701151
3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
CID 86780875

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide (CID 91629820) is 3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide is COc1ccc(C(=O)NC(c2cccnc2)C2CCOCC2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide?
The InChIKey is PUQYAHVVGMJYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-24-17-5-4-14(11-16(17)20)19(23)22-18(13-6-9-25-10-7-13)15-3-2-8-21-12-15/h2-5,8,11-13,18H,6-7,9-10H2,1H3,(H,22,23).
What are the key properties of 3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide?
3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide has a molecular weight of 344.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide is sourced from PubChem (CID 91629820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).