3-(difluoromethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide

C24H22F3N3O3 — CID 90460467

IUPAC3-(difluoromethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide
SMILESCn1cc(-c2cc(NC(=O)c3cccc(C(F)F)c3)ccc2F)cc(N2CCOCC2)c1=O
InChIInChI=1S/C24H22F3N3O3/c1-29-14-17(12-21(24(29)32)30-7-9-33-10-8-30)19-13-18(5-6-20(19)25)28-23(31)16-4-2-3-15(11-16)22(26)27/h2-6,11-14,22H,7-10H2,1H3,(H,28,31)
InChIKeyGWUWXAPVCNAQLC-UHFFFAOYSA-N
MW457.45 g/mol
LogP4.22
Rot. Bonds5

About 3-(difluoromethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide

3-(difluoromethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide (PubChem CID 90460467) has the molecular formula C24H22F3N3O3 and a molecular weight of 457.45 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide
PubChem CID90460467
Molecular FormulaC24H22F3N3O3
Molecular Weight457.45 g/mol
Exact Mass457.16
IUPAC Name3-(difluoromethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide
SMILESCn1cc(-c2cc(NC(=O)c3cccc(C(F)F)c3)ccc2F)cc(N2CCOCC2)c1=O
InChIInChI=1S/C24H22F3N3O3/c1-29-14-17(12-21(24(29)32)30-7-9-33-10-8-30)19-13-18(5-6-20(19)25)28-23(31)16-4-2-3-15(11-16)22(26)27/h2-6,11-14,22H,7-10H2,1H3,(H,28,31)
InChIKeyGWUWXAPVCNAQLC-UHFFFAOYSA-N
XLogP4.22
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(difluoromethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide with MolForge

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Related Compounds

Oicr-9429
CID 91623360
4-Morpholineacetamide, N-(2-((phenylamino)carbonyl)phenyl)-
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CID 11257357
2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
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CID 86298305
N-(4-methyl-3-(1-methyl-5-morpholino-6-oxo-1,6-dihydropyridin-3-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 90408889
3-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1086047
(2S)-N-{2-[(4-fluorophenyl)amino]ethyl}-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 23648348
N-(cyanomethyl)-4-methyl-2-{3-[3-(morpholin-4-yl)phenyl]phenyl}pentanamide
CID 10992823
4-[(3-acetamidophenyl)-[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]methyl]-N,N-diethylbenzamide
CID 57401184
2-(4-benzoylpiperidin-1-yl)-N-(3,5-dimethylphenyl)acetamide
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2-[(4-fluorobenzoyl)amino]-N-(3-morpholinopropyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide (CID 90460467) is 3-(difluoromethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide is Cn1cc(-c2cc(NC(=O)c3cccc(C(F)F)c3)ccc2F)cc(N2CCOCC2)c1=O.
What is the InChIKey of 3-(difluoromethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide?
The InChIKey is GWUWXAPVCNAQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O3/c1-29-14-17(12-21(24(29)32)30-7-9-33-10-8-30)19-13-18(5-6-20(19)25)28-23(31)16-4-2-3-15(11-16)22(26)27/h2-6,11-14,22H,7-10H2,1H3,(H,28,31).
What are the key properties of 3-(difluoromethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide?
3-(difluoromethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide has a molecular weight of 457.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[4-fluoro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]benzamide is sourced from PubChem (CID 90460467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).