methane;1-[3-[(2-oxo-1,3-dihydroindol-6-yl)amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1H-pyrrole-2-carbaldehyde;2,4,5-trifluorobenzoic acid;2,4,5-trifluorobenzoyl azide

C67H47F12N13O8 — CID 159172083

IUPACmethane;1-[3-[(2-oxo-1,3-dihydroindol-6-yl)amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1H-pyrrole-2-carbaldehyde;2,4,5-trifluorobenzoic acid;2,4,5-trifluorobenzoyl azide
SMILESC.O=C(Nc1cccc(Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)c1)Nc1cc(F)c(F)cc1F.O=C(O)c1cc(F)c(F)cc1F.O=C1Cc2ccc(Nc3cccc(NC(=O)Nc4cc(F)c(F)cc4F)c3)cc2N1.O=Cc1ccc[nH]1.[N-]=[N+]=NC(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C26H18F3N5O2.C21H15F3N4O2.C7H2F3N3O.C7H3F3O2.C5H5NO.CH4/c27-20-12-22(29)24(13-21(20)28)34-26(36)32-16-4-1-3-15(9-16)31-17-6-7-18-19(10-14-5-2-8-30-14)25(35)33-23(18)11-17;22-15-9-17(24)19(10-16(15)23)28-21(30)26-13-3-1-2-12(7-13)25-14-5-4-11-6-20(29)27-18(11)8-14;8-4-2-6(10)5(9)1-3(4)7(14)12-13-11;8-4-2-6(10)5(9)1-3(4)7(11)12;7-4-5-2-1-3-6-5;/h1-13,30-31H,(H,33,35)(H2,32,34,36);1-5,7-10,25H,6H2,(H,27,29)(H2,26,28,30);1-2H;1-2H,(H,11,12);1-4,6H;1H4/b19-10-;;;;;
InChIKeyKLUWZOWAFHYGCI-XVZCZMKASA-N
MW1390.17 g/mol
LogP17.12
Rot. Bonds12

About methane;1-[3-[(2-oxo-1,3-dihydroindol-6-yl)amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1H-pyrrole-2-carbaldehyde;2,4,5-trifluorobenzoic acid;2,4,5-trifluorobenzoyl azide

methane;1-[3-[(2-oxo-1,3-dihydroindol-6-yl)amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1H-pyrrole-2-carbaldehyde;2,4,5-trifluorobenzoic acid;2,4,5-trifluorobenzoyl azide (PubChem CID 159172083) has the molecular formula C67H47F12N13O8 and a molecular weight of 1390.17 g/mol. Its IUPAC name is methane;1-[3-[(2-oxo-1,3-dihydroindol-6-yl)amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1H-pyrrole-2-carbaldehyde;2,4,5-trifluorobenzoic acid;2,4,5-trifluorobenzoyl azide.

Molecular Properties

Compound Namemethane;1-[3-[(2-oxo-1,3-dihydroindol-6-yl)amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1H-pyrrole-2-carbaldehyde;2,4,5-trifluorobenzoic acid;2,4,5-trifluorobenzoyl azide
PubChem CID159172083
Molecular FormulaC67H47F12N13O8
Molecular Weight1390.17 g/mol
Exact Mass1389.35
IUPAC Namemethane;1-[3-[(2-oxo-1,3-dihydroindol-6-yl)amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1H-pyrrole-2-carbaldehyde;2,4,5-trifluorobenzoic acid;2,4,5-trifluorobenzoyl azide
SMILESC.O=C(Nc1cccc(Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)c1)Nc1cc(F)c(F)cc1F.O=C(O)c1cc(F)c(F)cc1F.O=C1Cc2ccc(Nc3cccc(NC(=O)Nc4cc(F)c(F)cc4F)c3)cc2N1.O=Cc1ccc[nH]1.[N-]=[N+]=NC(=O)c1cc(F)c(F)cc1F
InChIInChI=1S/C26H18F3N5O2.C21H15F3N4O2.C7H2F3N3O.C7H3F3O2.C5H5NO.CH4/c27-20-12-22(29)24(13-21(20)28)34-26(36)32-16-4-1-3-15(9-16)31-17-6-7-18-19(10-14-5-2-8-30-14)25(35)33-23(18)11-17;22-15-9-17(24)19(10-16(15)23)28-21(30)26-13-3-1-2-12(7-13)25-14-5-4-11-6-20(29)27-18(11)8-14;8-4-2-6(10)5(9)1-3(4)7(14)12-13-11;8-4-2-6(10)5(9)1-3(4)7(11)12;7-4-5-2-1-3-6-5;/h1-13,30-31H,(H,33,35)(H2,32,34,36);1-5,7-10,25H,6H2,(H,27,29)(H2,26,28,30);1-2H;1-2H,(H,11,12);1-4,6H;1H4/b19-10-;;;;;
InChIKeyKLUWZOWAFHYGCI-XVZCZMKASA-N
XLogP17.12
TPSA316.30 Ų
H-Bond Donors11
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001390.17
LogP ≤ 517.12
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze methane;1-[3-[(2-oxo-1,3-dihydroindol-6-yl)amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1H-pyrrole-2-carbaldehyde;2,4,5-trifluorobenzoic acid;2,4,5-trifluorobenzoyl azide with MolForge

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Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-1-methylindole-6-carboxamide;1H-indole-6-carboxylic acid;1-isocyanato-3,5-bis(trifluoromethyl)benzene;1-methylindole-6-carboxamide;1-methylindole-6-carboxylic acid
CID 160965289
6-(3-aminoanilino)-1,3-dihydroindol-2-one;4-[(4-ethylpiperazin-1-yl)methyl]-N-[3-[(2-oxo-1,3-dihydroindol-6-yl)amino]phenyl]-3-(trifluoromethyl)benzamide;4-[(4-ethylpiperazin-1-yl)methyl]-N-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(trifluoromethyl)benzamide;4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid;1H-pyrrole-2-carbaldehyde
CID 161302753
CID 168319353
CID 168319353
6-(3-aminoanilino)-1,3-dihydroindol-2-one;1-[3-[(2-oxo-1,3-dihydroindol-6-yl)amino]phenyl]-3-(3,4,5-trifluorophenyl)urea;1-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(3,4,5-trifluorophenyl)urea;1H-pyrrole-2-carbaldehyde;3,4,5-trifluoroaniline
CID 158617923
2,4-difluoro-N-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]benzamide;1-(2,4-difluorophenyl)-3-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 161961174

Frequently Asked Questions

What is the IUPAC name of methane;1-[3-[(2-oxo-1,3-dihydroindol-6-yl)amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1H-pyrrole-2-carbaldehyde;2,4,5-trifluorobenzoic acid;2,4,5-trifluorobenzoyl azide?
The IUPAC name of methane;1-[3-[(2-oxo-1,3-dihydroindol-6-yl)amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1H-pyrrole-2-carbaldehyde;2,4,5-trifluorobenzoic acid;2,4,5-trifluorobenzoyl azide (CID 159172083) is methane;1-[3-[(2-oxo-1,3-dihydroindol-6-yl)amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1H-pyrrole-2-carbaldehyde;2,4,5-trifluorobenzoic acid;2,4,5-trifluorobenzoyl azide.
What is the SMILES notation for methane;1-[3-[(2-oxo-1,3-dihydroindol-6-yl)amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1H-pyrrole-2-carbaldehyde;2,4,5-trifluorobenzoic acid;2,4,5-trifluorobenzoyl azide?
The canonical SMILES for methane;1-[3-[(2-oxo-1,3-dihydroindol-6-yl)amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1H-pyrrole-2-carbaldehyde;2,4,5-trifluorobenzoic acid;2,4,5-trifluorobenzoyl azide is C.O=C(Nc1cccc(Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)c1)Nc1cc(F)c(F)cc1F.O=C(O)c1cc(F)c(F)cc1F.O=C1Cc2ccc(Nc3cccc(NC(=O)Nc4cc(F)c(F)cc4F)c3)cc2N1.O=Cc1ccc[nH]1.[N-]=[N+]=NC(=O)c1cc(F)c(F)cc1F.
What is the InChIKey of methane;1-[3-[(2-oxo-1,3-dihydroindol-6-yl)amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1H-pyrrole-2-carbaldehyde;2,4,5-trifluorobenzoic acid;2,4,5-trifluorobenzoyl azide?
The InChIKey is KLUWZOWAFHYGCI-XVZCZMKASA-N. The full InChI is InChI=1S/C26H18F3N5O2.C21H15F3N4O2.C7H2F3N3O.C7H3F3O2.C5H5NO.CH4/c27-20-12-22(29)24(13-21(20)28)34-26(36)32-16-4-1-3-15(9-16)31-17-6-7-18-19(10-14-5-2-8-30-14)25(35)33-23(18)11-17;22-15-9-17(24)19(10-16(15)23)28-21(30)26-13-3-1-2-12(7-13)25-14-5-4-11-6-20(29)27-18(11)8-14;8-4-2-6(10)5(9)1-3(4)7(14)12-13-11;8-4-2-6(10)5(9)1-3(4)7(11)12;7-4-5-2-1-3-6-5;/h1-13,30-31H,(H,33,35)(H2,32,34,36);1-5,7-10,25H,6H2,(H,27,29)(H2,26,28,30);1-2H;1-2H,(H,11,12);1-4,6H;1H4/b19-10-;;;;;.
What are the key properties of methane;1-[3-[(2-oxo-1,3-dihydroindol-6-yl)amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1H-pyrrole-2-carbaldehyde;2,4,5-trifluorobenzoic acid;2,4,5-trifluorobenzoyl azide?
methane;1-[3-[(2-oxo-1,3-dihydroindol-6-yl)amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1H-pyrrole-2-carbaldehyde;2,4,5-trifluorobenzoic acid;2,4,5-trifluorobenzoyl azide has a molecular weight of 1390.17 g/mol, XLogP of 17.12, 12 rotatable bonds, 11 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-[3-[(2-oxo-1,3-dihydroindol-6-yl)amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(2,4,5-trifluorophenyl)urea;1H-pyrrole-2-carbaldehyde;2,4,5-trifluorobenzoic acid;2,4,5-trifluorobenzoyl azide is sourced from PubChem (CID 159172083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).