3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide

C18H20FN3O2 — CID 32586803

IUPAC3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccnc(N3CCOCC3)c2)cc1F
InChIInChI=1S/C18H20FN3O2/c1-13-2-3-15(11-16(13)19)18(23)21-12-14-4-5-20-17(10-14)22-6-8-24-9-7-22/h2-5,10-11H,6-9,12H2,1H3,(H,21,23)
InChIKeyOAFDFVCXRNQWBJ-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.30
Rot. Bonds4

About 3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide

3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide (PubChem CID 32586803) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
PubChem CID32586803
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccnc(N3CCOCC3)c2)cc1F
InChIInChI=1S/C18H20FN3O2/c1-13-2-3-15(11-16(13)19)18(23)21-12-14-4-5-20-17(10-14)22-6-8-24-9-7-22/h2-5,10-11H,6-9,12H2,1H3,(H,21,23)
InChIKeyOAFDFVCXRNQWBJ-UHFFFAOYSA-N
XLogP2.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32585579
3-fluoro-4-methyl-N-[2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122327988
3-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119846311
2-(2-methylphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]acetamide
CID 32586117
2-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 32585275
3-cyano-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 32584541
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585359
1-methylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 32586377
4-[(1-methylimidazol-2-yl)methoxy]-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide
CID 47054802
3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318546
1-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-propan-2-ylurea
CID 36506612
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 33031482

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide (CID 32586803) is 3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide is Cc1ccc(C(=O)NCc2ccnc(N3CCOCC3)c2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide?
The InChIKey is OAFDFVCXRNQWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-13-2-3-15(11-16(13)19)18(23)21-12-14-4-5-20-17(10-14)22-6-8-24-9-7-22/h2-5,10-11H,6-9,12H2,1H3,(H,21,23).
What are the key properties of 3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide?
3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide has a molecular weight of 329.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 32586803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).