2,4-difluoro-N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]benzamide

C21H23F2N3O3 — CID 29481344

IUPAC2,4-difluoro-N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H23F2N3O3/c1-25(14-15-2-5-17(6-3-15)26-8-10-29-11-9-26)20(27)13-24-21(28)18-7-4-16(22)12-19(18)23/h2-7,12H,8-11,13-14H2,1H3,(H,24,28)
InChIKeyUNFUIGLFEDQXBA-UHFFFAOYSA-N
MW403.43 g/mol
LogP2.19
Rot. Bonds6

About 2,4-difluoro-N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]benzamide

2,4-difluoro-N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]benzamide (PubChem CID 29481344) has the molecular formula C21H23F2N3O3 and a molecular weight of 403.43 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
PubChem CID29481344
Molecular FormulaC21H23F2N3O3
Molecular Weight403.43 g/mol
Exact Mass403.17
IUPAC Name2,4-difluoro-N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H23F2N3O3/c1-25(14-15-2-5-17(6-3-15)26-8-10-29-11-9-26)20(27)13-24-21(28)18-7-4-16(22)12-19(18)23/h2-7,12H,8-11,13-14H2,1H3,(H,24,28)
InChIKeyUNFUIGLFEDQXBA-UHFFFAOYSA-N
XLogP2.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 46649991
N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55789328
2,4-difluoro-N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51192378
N-[2-(dimethylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 9480520
2,4-difluoro-N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51192745
3-(4-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 27734751
N-[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 29304745
2,4-difluoro-N-[2-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 24595815
N-[2-[[4-(dimethylcarbamoyl)phenyl]methyl-ethylamino]-2-oxoethyl]-2,4-difluorobenzamide
CID 56510929
3,5-dimethyl-N-[2-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 24551977
2-chloro-4-fluoro-N-[3-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 55755168
1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86831390

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]benzamide (CID 29481344) is 2,4-difluoro-N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]benzamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CNC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]benzamide?
The InChIKey is UNFUIGLFEDQXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O3/c1-25(14-15-2-5-17(6-3-15)26-8-10-29-11-9-26)20(27)13-24-21(28)18-7-4-16(22)12-19(18)23/h2-7,12H,8-11,13-14H2,1H3,(H,24,28).
What are the key properties of 2,4-difluoro-N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]benzamide?
2,4-difluoro-N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 403.43 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 29481344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).