6-(4-fluorophenyl)-10-[3-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)carbamoyl]-4-methoxyphenyl]-N,4-dimethyl-1H-oxonino[4,3-b]pyrrole-7-carboxamide

C32H28F7N3O4 — CID 135267624

IUPAC6-(4-fluorophenyl)-10-[3-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)carbamoyl]-4-methoxyphenyl]-N,4-dimethyl-1H-oxonino[4,3-b]pyrrole-7-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(OC)c(C(=O)NCC(C)(F)C(F)(F)C(F)(F)F)c2)c2[nH]ccc2c(C)oc1-c1ccc(F)cc1
InChIInChI=1S/C32H28F7N3O4/c1-17-21-13-14-41-26(21)22(10-11-23(28(43)40-3)27(46-17)18-5-8-20(33)9-6-18)19-7-12-25(45-4)24(15-19)29(44)42-16-30(2,34)31(35,36)32(37,38)39/h5-15,41H,16H2,1-4H3,(H,40,43)(H,42,44)/b11-10-,21-17-,26-22-,27-23+
InChIKeyDGSSRVGKCVAWMO-COTKKLSMSA-N
MW651.58 g/mol
LogP7.69
Rot. Bonds8

About 6-(4-fluorophenyl)-10-[3-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)carbamoyl]-4-methoxyphenyl]-N,4-dimethyl-1H-oxonino[4,3-b]pyrrole-7-carboxamide

6-(4-fluorophenyl)-10-[3-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)carbamoyl]-4-methoxyphenyl]-N,4-dimethyl-1H-oxonino[4,3-b]pyrrole-7-carboxamide (PubChem CID 135267624) has the molecular formula C32H28F7N3O4 and a molecular weight of 651.58 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-10-[3-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)carbamoyl]-4-methoxyphenyl]-N,4-dimethyl-1H-oxonino[4,3-b]pyrrole-7-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-10-[3-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)carbamoyl]-4-methoxyphenyl]-N,4-dimethyl-1H-oxonino[4,3-b]pyrrole-7-carboxamide
PubChem CID135267624
Molecular FormulaC32H28F7N3O4
Molecular Weight651.58 g/mol
Exact Mass651.20
IUPAC Name6-(4-fluorophenyl)-10-[3-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)carbamoyl]-4-methoxyphenyl]-N,4-dimethyl-1H-oxonino[4,3-b]pyrrole-7-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(OC)c(C(=O)NCC(C)(F)C(F)(F)C(F)(F)F)c2)c2[nH]ccc2c(C)oc1-c1ccc(F)cc1
InChIInChI=1S/C32H28F7N3O4/c1-17-21-13-14-41-26(21)22(10-11-23(28(43)40-3)27(46-17)18-5-8-20(33)9-6-18)19-7-12-25(45-4)24(15-19)29(44)42-16-30(2,34)31(35,36)32(37,38)39/h5-15,41H,16H2,1-4H3,(H,40,43)(H,42,44)/b11-10-,21-17-,26-22-,27-23+
InChIKeyDGSSRVGKCVAWMO-COTKKLSMSA-N
XLogP7.69
TPSA96.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.58
LogP ≤ 57.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(4-fluorophenyl)-10-[3-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)carbamoyl]-4-methoxyphenyl]-N,4-dimethyl-1H-oxonino[4,3-b]pyrrole-7-carboxamide with MolForge

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Related Compounds

2-(4-fluorophenyl)-5-[3-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)-4-methoxyphenyl]-N-methyl-6-nitro-1-benzofuran-3-carboxamide
CID 118384367
2-(4-fluorophenyl)-5-[3-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)-4-methoxyphenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 118896056
1-ethyl-6-(4-fluorophenyl)-10-(3-formylphenyl)-N,4-dimethyloxonino[4,3-b]pyrrole-7-carboxamide
CID 135267585
6-chloro-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide;6-(ethylamino)-2-(4-fluorophenyl)-5-[3-(4,4,5,5,6,6,6-heptafluorohexanoyl)-4-methoxyphenyl]-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 161399724
5-[3-[4-fluoro-3,3-bis(fluoromethyl)butanoyl]-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 147411671
6-chloro-5-[3-(3,3-dimethylpent-4-ynoyl)-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 152795669
6-chloro-2-(4-fluorophenyl)-5-(3-formyl-4-methoxyphenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide;2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-amine
CID 145014859
5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)-4-methoxyphenyl]-6-ethoxy-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 122522134
5-[3-(2,2-difluoropropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide;2-(4-fluorophenyl)-N-methyl-5-[3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-6H-furo[2,3-e]indole-3-carboxamide
CID 144928413
5-[2-(4-fluorophenyl)-3-(methylaminomethyl)-6-(2,2,2-trifluoroethoxy)-1-benzofuran-5-yl]-2-methoxybenzoic acid
CID 123230045
6-ethoxy-2-(4-fluorophenyl)-5-[4-methoxy-3-[2-(3H-1,2,4-oxathiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 141498476
[4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]-2-(2-methylpropylcarbamoyl)phenyl] trifluoromethanesulfonate
CID 87311393

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-10-[3-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)carbamoyl]-4-methoxyphenyl]-N,4-dimethyl-1H-oxonino[4,3-b]pyrrole-7-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-10-[3-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)carbamoyl]-4-methoxyphenyl]-N,4-dimethyl-1H-oxonino[4,3-b]pyrrole-7-carboxamide (CID 135267624) is 6-(4-fluorophenyl)-10-[3-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)carbamoyl]-4-methoxyphenyl]-N,4-dimethyl-1H-oxonino[4,3-b]pyrrole-7-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-10-[3-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)carbamoyl]-4-methoxyphenyl]-N,4-dimethyl-1H-oxonino[4,3-b]pyrrole-7-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-10-[3-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)carbamoyl]-4-methoxyphenyl]-N,4-dimethyl-1H-oxonino[4,3-b]pyrrole-7-carboxamide is CNC(=O)c1ccc(-c2ccc(OC)c(C(=O)NCC(C)(F)C(F)(F)C(F)(F)F)c2)c2[nH]ccc2c(C)oc1-c1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-10-[3-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)carbamoyl]-4-methoxyphenyl]-N,4-dimethyl-1H-oxonino[4,3-b]pyrrole-7-carboxamide?
The InChIKey is DGSSRVGKCVAWMO-COTKKLSMSA-N. The full InChI is InChI=1S/C32H28F7N3O4/c1-17-21-13-14-41-26(21)22(10-11-23(28(43)40-3)27(46-17)18-5-8-20(33)9-6-18)19-7-12-25(45-4)24(15-19)29(44)42-16-30(2,34)31(35,36)32(37,38)39/h5-15,41H,16H2,1-4H3,(H,40,43)(H,42,44)/b11-10-,21-17-,26-22-,27-23+.
What are the key properties of 6-(4-fluorophenyl)-10-[3-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)carbamoyl]-4-methoxyphenyl]-N,4-dimethyl-1H-oxonino[4,3-b]pyrrole-7-carboxamide?
6-(4-fluorophenyl)-10-[3-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)carbamoyl]-4-methoxyphenyl]-N,4-dimethyl-1H-oxonino[4,3-b]pyrrole-7-carboxamide has a molecular weight of 651.58 g/mol, XLogP of 7.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-10-[3-[(2,3,3,4,4,4-hexafluoro-2-methylbutyl)carbamoyl]-4-methoxyphenyl]-N,4-dimethyl-1H-oxonino[4,3-b]pyrrole-7-carboxamide is sourced from PubChem (CID 135267624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).