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

C72H55F9N14O6 — CID 158617923

IUPAC6-(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
SMILESNc1cc(F)c(F)c(F)c1.Nc1cccc(Nc2ccc3c(c2)NC(=O)C3)c1.O=C(Nc1cccc(Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)c1)Nc1cc(F)c(F)c(F)c1.O=C1Cc2ccc(Nc3cccc(NC(=O)Nc4cc(F)c(F)c(F)c4)c3)cc2N1.O=Cc1ccc[nH]1
InChIInChI=1S/C26H18F3N5O2.C21H15F3N4O2.C14H13N3O.C6H4F3N.C5H5NO/c27-21-11-18(12-22(28)24(21)29)33-26(36)32-16-4-1-3-15(9-16)31-17-6-7-19-20(10-14-5-2-8-30-14)25(35)34-23(19)13-17;22-16-8-15(9-17(23)20(16)24)27-21(30)26-13-3-1-2-12(7-13)25-14-5-4-11-6-19(29)28-18(11)10-14;15-10-2-1-3-11(7-10)16-12-5-4-9-6-14(18)17-13(9)8-12;7-4-1-3(10)2-5(8)6(4)9;7-4-5-2-1-3-6-5/h1-13,30-31H,(H,34,35)(H2,32,33,36);1-5,7-10,25H,6H2,(H,28,29)(H2,26,27,30);1-5,7-8,16H,6,15H2,(H,17,18);1-2H,10H2;1-4,6H/b20-10-;;;;
InChIKeyHXPVKFJWIZZEFT-KDNVCSPFSA-N
MW1383.31 g/mol
LogP16.32
Rot. Bonds12

About 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

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 (PubChem CID 158617923) has the molecular formula C72H55F9N14O6 and a molecular weight of 1383.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID158617923
Molecular FormulaC72H55F9N14O6
Molecular Weight1383.31 g/mol
Exact Mass1382.43
IUPAC Name6-(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
SMILESNc1cc(F)c(F)c(F)c1.Nc1cccc(Nc2ccc3c(c2)NC(=O)C3)c1.O=C(Nc1cccc(Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)c1)Nc1cc(F)c(F)c(F)c1.O=C1Cc2ccc(Nc3cccc(NC(=O)Nc4cc(F)c(F)c(F)c4)c3)cc2N1.O=Cc1ccc[nH]1
InChIInChI=1S/C26H18F3N5O2.C21H15F3N4O2.C14H13N3O.C6H4F3N.C5H5NO/c27-21-11-18(12-22(28)24(21)29)33-26(36)32-16-4-1-3-15(9-16)31-17-6-7-19-20(10-14-5-2-8-30-14)25(35)34-23(19)13-17;22-16-8-15(9-17(23)20(16)24)27-21(30)26-13-3-1-2-12(7-13)25-14-5-4-11-6-19(29)28-18(11)10-14;15-10-2-1-3-11(7-10)16-12-5-4-9-6-14(18)17-13(9)8-12;7-4-1-3(10)2-5(8)6(4)9;7-4-5-2-1-3-6-5/h1-13,30-31H,(H,34,35)(H2,32,33,36);1-5,7-10,25H,6H2,(H,28,29)(H2,26,27,30);1-5,7-8,16H,6,15H2,(H,17,18);1-2H,10H2;1-4,6H/b20-10-;;;;
InChIKeyHXPVKFJWIZZEFT-KDNVCSPFSA-N
XLogP16.32
TPSA306.34 Ų
H-Bond Donors14
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001383.31
LogP ≤ 516.32
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-difluorophenyl)-3-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 59397046
1-(3-fluorophenyl)-3-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 59397051
1-(2,4-difluorophenyl)-3-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 59397055
1-(3,5-difluorophenyl)-3-[4-methyl-3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 59397068
1-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(2,3,4-trifluorophenyl)urea
CID 59397076
1-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(3,4,5-trifluorophenyl)urea
CID 59397078
1-(2,5-difluorophenyl)-3-[4-methyl-3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 59397097
1-[4-methyl-3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(2,3,6-trifluorophenyl)urea
CID 59397100
1-(4-fluorophenyl)-3-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 59397111
1-(2,3-difluorophenyl)-3-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 59397117
1-(2,6-difluorophenyl)-3-[4-methyl-3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 59397122
1-(3,4-difluorophenyl)-3-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 59397126

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Nc1cc(F)c(F)c(F)c1.Nc1cccc(Nc2ccc3c(c2)NC(=O)C3)c1.O=C(Nc1cccc(Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)c1)Nc1cc(F)c(F)c(F)c1.O=C1Cc2ccc(Nc3cccc(NC(=O)Nc4cc(F)c(F)c(F)c4)c3)cc2N1.O=Cc1ccc[nH]1.
What is the InChIKey of 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?
The InChIKey is HXPVKFJWIZZEFT-KDNVCSPFSA-N. The full InChI is InChI=1S/C26H18F3N5O2.C21H15F3N4O2.C14H13N3O.C6H4F3N.C5H5NO/c27-21-11-18(12-22(28)24(21)29)33-26(36)32-16-4-1-3-15(9-16)31-17-6-7-19-20(10-14-5-2-8-30-14)25(35)34-23(19)13-17;22-16-8-15(9-17(23)20(16)24)27-21(30)26-13-3-1-2-12(7-13)25-14-5-4-11-6-19(29)28-18(11)10-14;15-10-2-1-3-11(7-10)16-12-5-4-9-6-14(18)17-13(9)8-12;7-4-1-3(10)2-5(8)6(4)9;7-4-5-2-1-3-6-5/h1-13,30-31H,(H,34,35)(H2,32,33,36);1-5,7-10,25H,6H2,(H,28,29)(H2,26,27,30);1-5,7-8,16H,6,15H2,(H,17,18);1-2H,10H2;1-4,6H/b20-10-;;;;.
What are the key properties of 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?
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 has a molecular weight of 1383.31 g/mol, XLogP of 16.32, 12 rotatable bonds, 14 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158617923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).