N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-2-fluorobenzamide

C19H21FN2O2 — CID 110637516

IUPACN-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-2-fluorobenzamide
SMILESCC1COCC(C)N1c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O2/c1-13-11-24-12-14(2)22(13)16-9-7-15(8-10-16)21-19(23)17-5-3-4-6-18(17)20/h3-10,13-14H,11-12H2,1-2H3,(H,21,23)
InChIKeyOYQXGKVBRSJMKN-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.69
Rot. Bonds3

About N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-2-fluorobenzamide

N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-2-fluorobenzamide (PubChem CID 110637516) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-2-fluorobenzamide
PubChem CID110637516
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-2-fluorobenzamide
SMILESCC1COCC(C)N1c1ccc(NC(=O)c2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O2/c1-13-11-24-12-14(2)22(13)16-9-7-15(8-10-16)21-19(23)17-5-3-4-6-18(17)20/h3-10,13-14H,11-12H2,1-2H3,(H,21,23)
InChIKeyOYQXGKVBRSJMKN-UHFFFAOYSA-N
XLogP3.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]acetamide
CID 110637499
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
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CID 110732804
2-fluoro-N-[4-(3-oxomorpholin-4-yl)phenyl]benzamide
CID 110363540
2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide
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2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1087170
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-2-fluorobenzamide
CID 51152550
2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809546
2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 577368
N-[4-[4-(butan-2-ylamino)piperidin-1-yl]phenyl]-2-fluorobenzamide
CID 45243203
1-[4-[(2-fluorobenzoyl)amino]phenyl]-N-methyl-2-oxopyridine-3-carboxamide
CID 53119471
2-fluoro-N-(4-propylphenyl)benzamide
CID 8803034

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-2-fluorobenzamide?
The IUPAC name of N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-2-fluorobenzamide (CID 110637516) is N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-2-fluorobenzamide?
The canonical SMILES for N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-2-fluorobenzamide is CC1COCC(C)N1c1ccc(NC(=O)c2ccccc2F)cc1.
What is the InChIKey of N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-2-fluorobenzamide?
The InChIKey is OYQXGKVBRSJMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-13-11-24-12-14(2)22(13)16-9-7-15(8-10-16)21-19(23)17-5-3-4-6-18(17)20/h3-10,13-14H,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-2-fluorobenzamide?
N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-2-fluorobenzamide has a molecular weight of 328.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylmorpholin-4-yl)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 110637516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).