N-[3-[[(3Z)-3-[[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]oxy]phenyl]-3-(trifluoromethyl)benzamide

About N-[3-[[(3Z)-3-[[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]oxy]phenyl]-3-(trifluoromethyl)benzamide

N-[3-[[(3Z)-3-[[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]oxy]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 66675767) has the molecular formula C36H34F3N5O4 and a molecular weight of 657.69 g/mol. Its IUPAC name is N-[3-[[(3Z)-3-[[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]oxy]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name	N-[3-[[(3Z)-3-[[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]oxy]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID	66675767
Molecular Formula	C36H34F3N5O4
Molecular Weight	657.69 g/mol
Exact Mass	657.26
IUPAC Name	N-[3-[[(3Z)-3-[[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]oxy]phenyl]-3-(trifluoromethyl)benzamide
SMILES	Cc1[nH]c(/C=C2\C(=O)Nc3cc(Oc4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccc32)c(C)c1C(=O)N1CCC(N(C)C)C1
InChI	InChI=1S/C36H34F3N5O4/c1-20-30(40-21(2)32(20)35(47)44-14-13-25(19-44)43(3)4)18-29-28-12-11-27(17-31(28)42-34(29)46)48-26-10-6-9-24(16-26)41-33(45)22-7-5-8-23(15-22)36(37,38)39/h5-12,15-18,25,40H,13-14,19H2,1-4H3,(H,41,45)(H,42,46)/b29-18-
InChIKey	JRMFYNSPTZERPS-MIXAMLLLSA-N
XLogP	6.96
TPSA	106.77 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	48
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.69
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3Z)-3-[[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]oxy]phenyl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[3-[[(3Z)-3-[[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]oxy]phenyl]-3-(trifluoromethyl)benzamide (CID 66675767) is N-[3-[[(3Z)-3-[[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]oxy]phenyl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[3-[[(3Z)-3-[[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]oxy]phenyl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[3-[[(3Z)-3-[[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]oxy]phenyl]-3-(trifluoromethyl)benzamide is Cc1[nH]c(/C=C2\C(=O)Nc3cc(Oc4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccc32)c(C)c1C(=O)N1CCC(N(C)C)C1.

What is the InChIKey of N-[3-[[(3Z)-3-[[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]oxy]phenyl]-3-(trifluoromethyl)benzamide?

The InChIKey is JRMFYNSPTZERPS-MIXAMLLLSA-N. The full InChI is InChI=1S/C36H34F3N5O4/c1-20-30(40-21(2)32(20)35(47)44-14-13-25(19-44)43(3)4)18-29-28-12-11-27(17-31(28)42-34(29)46)48-26-10-6-9-24(16-26)41-33(45)22-7-5-8-23(15-22)36(37,38)39/h5-12,15-18,25,40H,13-14,19H2,1-4H3,(H,41,45)(H,42,46)/b29-18-.

What are the key properties of N-[3-[[(3Z)-3-[[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]oxy]phenyl]-3-(trifluoromethyl)benzamide?

N-[3-[[(3Z)-3-[[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]oxy]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 657.69 g/mol, XLogP of 6.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[(3Z)-3-[[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]oxy]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 66675767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).