3-fluoro-N-[4-methyl-3-[(2Z)-4-(2,2,3,3,3-pentafluoropropylamino)-3-phosphanylpenta-2,4-dienimidoyl]phenyl]-5-morpholin-4-ylbenzamide

C26H27F6N4O2P — CID 89347225

IUPAC3-fluoro-N-[4-methyl-3-[(2Z)-4-(2,2,3,3,3-pentafluoropropylamino)-3-phosphanylpenta-2,4-dienimidoyl]phenyl]-5-morpholin-4-ylbenzamide
SMILES[H]/N=C(\C=C(/P)C(=C)NCC(F)(F)C(F)(F)F)c1cc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)ccc1C
InChIInChI=1S/C26H27F6N4O2P/c1-15-3-4-19(35-24(37)17-9-18(27)11-20(10-17)36-5-7-38-8-6-36)12-21(15)22(33)13-23(39)16(2)34-14-25(28,29)26(30,31)32/h3-4,9-13,33-34H,2,5-8,14,39H2,1H3,(H,35,37)/b23-13-,33-22+
InChIKeyRNQPGFYOFSQXLL-GPBRAARZSA-N
MW572.49 g/mol
LogP5.65
Rot. Bonds9

About 3-fluoro-N-[4-methyl-3-[(2Z)-4-(2,2,3,3,3-pentafluoropropylamino)-3-phosphanylpenta-2,4-dienimidoyl]phenyl]-5-morpholin-4-ylbenzamide

3-fluoro-N-[4-methyl-3-[(2Z)-4-(2,2,3,3,3-pentafluoropropylamino)-3-phosphanylpenta-2,4-dienimidoyl]phenyl]-5-morpholin-4-ylbenzamide (PubChem CID 89347225) has the molecular formula C26H27F6N4O2P and a molecular weight of 572.49 g/mol. Its IUPAC name is 3-fluoro-N-[4-methyl-3-[(2Z)-4-(2,2,3,3,3-pentafluoropropylamino)-3-phosphanylpenta-2,4-dienimidoyl]phenyl]-5-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-methyl-3-[(2Z)-4-(2,2,3,3,3-pentafluoropropylamino)-3-phosphanylpenta-2,4-dienimidoyl]phenyl]-5-morpholin-4-ylbenzamide
PubChem CID89347225
Molecular FormulaC26H27F6N4O2P
Molecular Weight572.49 g/mol
Exact Mass572.18
IUPAC Name3-fluoro-N-[4-methyl-3-[(2Z)-4-(2,2,3,3,3-pentafluoropropylamino)-3-phosphanylpenta-2,4-dienimidoyl]phenyl]-5-morpholin-4-ylbenzamide
SMILES[H]/N=C(\C=C(/P)C(=C)NCC(F)(F)C(F)(F)F)c1cc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)ccc1C
InChIInChI=1S/C26H27F6N4O2P/c1-15-3-4-19(35-24(37)17-9-18(27)11-20(10-17)36-5-7-38-8-6-36)12-21(15)22(33)13-23(39)16(2)34-14-25(28,29)26(30,31)32/h3-4,9-13,33-34H,2,5-8,14,39H2,1H3,(H,35,37)/b23-13-,33-22+
InChIKeyRNQPGFYOFSQXLL-GPBRAARZSA-N
XLogP5.65
TPSA77.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.49
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-fluoro-N-[4-methyl-3-[(2Z)-4-(2,2,3,3,3-pentafluoropropylamino)-3-phosphanylpenta-2,4-dienimidoyl]phenyl]-5-morpholin-4-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[1-amino-4-[(3,4-dimethoxyphenyl)methyl-methylamino]-3,4-dioxobut-1-enyl]-4-methylphenyl]-3-fluoro-5-morpholin-4-ylbenzamide
CID 173496733
3-fluoro-N-[4-methyl-3-(oxolan-2-ylmethyl)phenyl]-5-morpholin-4-ylbenzamide
CID 91479903
3-fluoro-N-[4-methyl-3-[(2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-5-morpholin-4-ylbenzamide
CID 22594080
N-[3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4-methylphenyl]-3-fluoro-5-morpholin-4-ylbenzamide
CID 86759591
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075
N-(2,2-dimethylpropyl)-3-[5-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide
CID 69032599
3-fluoro-N-[4-methyl-3-[[5-methyl-6-(morpholine-4-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]phenyl]-5-morpholin-4-ylbenzamide
CID 58780506
N-(2,2-dimethylpropyl)-3-[5-[(3-fluoro-5-thiomorpholin-4-ylbenzoyl)amino]-2-methylphenyl]-1,2-oxazole-5-carboxamide
CID 69088428
acetylene;3-(1,1-difluoroethyl)-N-[3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-methylphenyl]-5-morpholin-4-ylbenzamide;N-methylformamide;2-methyloxolane
CID 143497750
N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228634
N-[4-methyl-3-[1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]formamide
CID 134567230
3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide
CID 90408857

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-methyl-3-[(2Z)-4-(2,2,3,3,3-pentafluoropropylamino)-3-phosphanylpenta-2,4-dienimidoyl]phenyl]-5-morpholin-4-ylbenzamide?
The IUPAC name of 3-fluoro-N-[4-methyl-3-[(2Z)-4-(2,2,3,3,3-pentafluoropropylamino)-3-phosphanylpenta-2,4-dienimidoyl]phenyl]-5-morpholin-4-ylbenzamide (CID 89347225) is 3-fluoro-N-[4-methyl-3-[(2Z)-4-(2,2,3,3,3-pentafluoropropylamino)-3-phosphanylpenta-2,4-dienimidoyl]phenyl]-5-morpholin-4-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-[4-methyl-3-[(2Z)-4-(2,2,3,3,3-pentafluoropropylamino)-3-phosphanylpenta-2,4-dienimidoyl]phenyl]-5-morpholin-4-ylbenzamide?
The canonical SMILES for 3-fluoro-N-[4-methyl-3-[(2Z)-4-(2,2,3,3,3-pentafluoropropylamino)-3-phosphanylpenta-2,4-dienimidoyl]phenyl]-5-morpholin-4-ylbenzamide is [H]/N=C(\C=C(/P)C(=C)NCC(F)(F)C(F)(F)F)c1cc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)ccc1C.
What is the InChIKey of 3-fluoro-N-[4-methyl-3-[(2Z)-4-(2,2,3,3,3-pentafluoropropylamino)-3-phosphanylpenta-2,4-dienimidoyl]phenyl]-5-morpholin-4-ylbenzamide?
The InChIKey is RNQPGFYOFSQXLL-GPBRAARZSA-N. The full InChI is InChI=1S/C26H27F6N4O2P/c1-15-3-4-19(35-24(37)17-9-18(27)11-20(10-17)36-5-7-38-8-6-36)12-21(15)22(33)13-23(39)16(2)34-14-25(28,29)26(30,31)32/h3-4,9-13,33-34H,2,5-8,14,39H2,1H3,(H,35,37)/b23-13-,33-22+.
What are the key properties of 3-fluoro-N-[4-methyl-3-[(2Z)-4-(2,2,3,3,3-pentafluoropropylamino)-3-phosphanylpenta-2,4-dienimidoyl]phenyl]-5-morpholin-4-ylbenzamide?
3-fluoro-N-[4-methyl-3-[(2Z)-4-(2,2,3,3,3-pentafluoropropylamino)-3-phosphanylpenta-2,4-dienimidoyl]phenyl]-5-morpholin-4-ylbenzamide has a molecular weight of 572.49 g/mol, XLogP of 5.65, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-methyl-3-[(2Z)-4-(2,2,3,3,3-pentafluoropropylamino)-3-phosphanylpenta-2,4-dienimidoyl]phenyl]-5-morpholin-4-ylbenzamide is sourced from PubChem (CID 89347225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).