2-aminoethanol;1-bromo-4-phenoxybenzene;ethyl 1H-indazole-3-carboxylate;ethyl 1-(4-phenoxyphenyl)indazole-3-carboxylate;N-(2-hydroxyethyl)-1-(4-phenoxyphenyl)indazole-3-carboxamide;hydroxylamine;N-hydroxy-1-(4-phenoxyphenyl)indazole-3-carboxamide;1-(4-phenoxyphenyl)indazole-3-carboxamide

C108H96BrN15O16 — CID 158674718

IUPAC2-aminoethanol;1-bromo-4-phenoxybenzene;ethyl 1H-indazole-3-carboxylate;ethyl 1-(4-phenoxyphenyl)indazole-3-carboxylate;N-(2-hydroxyethyl)-1-(4-phenoxyphenyl)indazole-3-carboxamide;hydroxylamine;N-hydroxy-1-(4-phenoxyphenyl)indazole-3-carboxamide;1-(4-phenoxyphenyl)indazole-3-carboxamide
SMILESBrc1ccc(Oc2ccccc2)cc1.CCOC(=O)c1n[nH]c2ccccc12.CCOC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12.NC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12.NCCO.NO.O=C(NCCO)c1nn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12.O=C(NO)c1nn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C22H19N3O3.C22H18N2O3.C20H15N3O3.C20H15N3O2.C12H9BrO.C10H10N2O2.C2H7NO.H3NO/c26-15-14-23-22(27)21-19-8-4-5-9-20(19)25(24-21)16-10-12-18(13-11-16)28-17-6-2-1-3-7-17;1-2-26-22(25)21-19-10-6-7-11-20(19)24(23-21)16-12-14-18(15-13-16)27-17-8-4-3-5-9-17;24-20(22-25)19-17-8-4-5-9-18(17)23(21-19)14-10-12-16(13-11-14)26-15-6-2-1-3-7-15;21-20(24)19-17-8-4-5-9-18(17)23(22-19)14-10-12-16(13-11-14)25-15-6-2-1-3-7-15;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-2-14-10(13)9-7-5-3-4-6-8(7)11-12-9;3-1-2-4;1-2/h1-13,26H,14-15H2,(H,23,27);3-15H,2H2,1H3;1-13,25H,(H,22,24);1-13H,(H2,21,24);1-9H;3-6H,2H2,1H3,(H,11,12);4H,1-3H2;2H,1H2
InChIKeyIEJHMODTCFYALX-UHFFFAOYSA-N
MW1939.95 g/mol
LogP20.64
Rot. Bonds24

About 2-aminoethanol;1-bromo-4-phenoxybenzene;ethyl 1H-indazole-3-carboxylate;ethyl 1-(4-phenoxyphenyl)indazole-3-carboxylate;N-(2-hydroxyethyl)-1-(4-phenoxyphenyl)indazole-3-carboxamide;hydroxylamine;N-hydroxy-1-(4-phenoxyphenyl)indazole-3-carboxamide;1-(4-phenoxyphenyl)indazole-3-carboxamide

2-aminoethanol;1-bromo-4-phenoxybenzene;ethyl 1H-indazole-3-carboxylate;ethyl 1-(4-phenoxyphenyl)indazole-3-carboxylate;N-(2-hydroxyethyl)-1-(4-phenoxyphenyl)indazole-3-carboxamide;hydroxylamine;N-hydroxy-1-(4-phenoxyphenyl)indazole-3-carboxamide;1-(4-phenoxyphenyl)indazole-3-carboxamide (PubChem CID 158674718) has the molecular formula C108H96BrN15O16 and a molecular weight of 1939.95 g/mol. Its IUPAC name is 2-aminoethanol;1-bromo-4-phenoxybenzene;ethyl 1H-indazole-3-carboxylate;ethyl 1-(4-phenoxyphenyl)indazole-3-carboxylate;N-(2-hydroxyethyl)-1-(4-phenoxyphenyl)indazole-3-carboxamide;hydroxylamine;N-hydroxy-1-(4-phenoxyphenyl)indazole-3-carboxamide;1-(4-phenoxyphenyl)indazole-3-carboxamide.

Molecular Properties

Compound Name2-aminoethanol;1-bromo-4-phenoxybenzene;ethyl 1H-indazole-3-carboxylate;ethyl 1-(4-phenoxyphenyl)indazole-3-carboxylate;N-(2-hydroxyethyl)-1-(4-phenoxyphenyl)indazole-3-carboxamide;hydroxylamine;N-hydroxy-1-(4-phenoxyphenyl)indazole-3-carboxamide;1-(4-phenoxyphenyl)indazole-3-carboxamide
PubChem CID158674718
Molecular FormulaC108H96BrN15O16
Molecular Weight1939.95 g/mol
Exact Mass1937.63
IUPAC Name2-aminoethanol;1-bromo-4-phenoxybenzene;ethyl 1H-indazole-3-carboxylate;ethyl 1-(4-phenoxyphenyl)indazole-3-carboxylate;N-(2-hydroxyethyl)-1-(4-phenoxyphenyl)indazole-3-carboxamide;hydroxylamine;N-hydroxy-1-(4-phenoxyphenyl)indazole-3-carboxamide;1-(4-phenoxyphenyl)indazole-3-carboxamide
SMILESBrc1ccc(Oc2ccccc2)cc1.CCOC(=O)c1n[nH]c2ccccc12.CCOC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12.NC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12.NCCO.NO.O=C(NCCO)c1nn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12.O=C(NO)c1nn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C22H19N3O3.C22H18N2O3.C20H15N3O3.C20H15N3O2.C12H9BrO.C10H10N2O2.C2H7NO.H3NO/c26-15-14-23-22(27)21-19-8-4-5-9-20(19)25(24-21)16-10-12-18(13-11-16)28-17-6-2-1-3-7-17;1-2-26-22(25)21-19-10-6-7-11-20(19)24(23-21)16-12-14-18(15-13-16)27-17-8-4-3-5-9-17;24-20(22-25)19-17-8-4-5-9-18(17)23(21-19)14-10-12-16(13-11-14)26-15-6-2-1-3-7-15;21-20(24)19-17-8-4-5-9-18(17)23(22-19)14-10-12-16(13-11-14)25-15-6-2-1-3-7-15;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-2-14-10(13)9-7-5-3-4-6-8(7)11-12-9;3-1-2-4;1-2/h1-13,26H,14-15H2,(H,23,27);3-15H,2H2,1H3;1-13,25H,(H,22,24);1-13H,(H2,21,24);1-9H;3-6H,2H2,1H3,(H,11,12);4H,1-3H2;2H,1H2
InChIKeyIEJHMODTCFYALX-UHFFFAOYSA-N
XLogP20.64
TPSA432.96 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001939.95
LogP ≤ 520.64
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-aminoethanol;1-bromo-4-phenoxybenzene;ethyl 1H-indazole-3-carboxylate;ethyl 1-(4-phenoxyphenyl)indazole-3-carboxylate;N-(2-hydroxyethyl)-1-(4-phenoxyphenyl)indazole-3-carboxamide;hydroxylamine;N-hydroxy-1-(4-phenoxyphenyl)indazole-3-carboxamide;1-(4-phenoxyphenyl)indazole-3-carboxamide with MolForge

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Related Compounds

5-(4-bromophenoxy)-2-(trifluoromethyl)benzonitrile;1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxamide;ethyl 1-[4-[3-cyano-4-(trifluoromethyl)phenoxy]phenyl]indazole-3-carboxylate;ethyl 1H-indazole-3-carboxylate
CID 158457065
2-aminoethanol;1-bromo-4-phenoxybenzene;ethyl 1H-indazole-3-carboxylate;ethyl 1-(4-phenoxyphenyl)indazole-3-carboxylate;hydroxylamine;N-(hydroxymethyl)-1-(4-phenoxyphenyl)indazole-3-carboxamide;N-hydroxy-1-(4-phenoxyphenyl)indazole-3-carboxamide;1-(4-phenoxyphenyl)indazole-3-carboxamide
CID 157676190
4-bromobenzonitrile;4-bromophenol;4-(4-bromophenoxy)benzonitrile;1-[4-(4-cyanophenoxy)phenyl]-N-(2,3-dihydroxypropyl)indazole-3-carboxamide;ethyl 1-[4-(4-cyanophenoxy)phenyl]indazole-3-carboxylate
CID 159250272
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;1-bromoethylbenzene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indazole-3-carboxamide;1H-indazole-3-carboxylic acid;methyl 1H-indazole-3-carboxylate;methyl 1-(1-phenylethyl)indazole-3-carboxylate;methyl 2-(1-phenylethyl)indazole-3-carboxylate;1-(1-phenylethyl)indazole-3-carboxylic acid
CID 160961957

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;1-bromo-4-phenoxybenzene;ethyl 1H-indazole-3-carboxylate;ethyl 1-(4-phenoxyphenyl)indazole-3-carboxylate;N-(2-hydroxyethyl)-1-(4-phenoxyphenyl)indazole-3-carboxamide;hydroxylamine;N-hydroxy-1-(4-phenoxyphenyl)indazole-3-carboxamide;1-(4-phenoxyphenyl)indazole-3-carboxamide?
The IUPAC name of 2-aminoethanol;1-bromo-4-phenoxybenzene;ethyl 1H-indazole-3-carboxylate;ethyl 1-(4-phenoxyphenyl)indazole-3-carboxylate;N-(2-hydroxyethyl)-1-(4-phenoxyphenyl)indazole-3-carboxamide;hydroxylamine;N-hydroxy-1-(4-phenoxyphenyl)indazole-3-carboxamide;1-(4-phenoxyphenyl)indazole-3-carboxamide (CID 158674718) is 2-aminoethanol;1-bromo-4-phenoxybenzene;ethyl 1H-indazole-3-carboxylate;ethyl 1-(4-phenoxyphenyl)indazole-3-carboxylate;N-(2-hydroxyethyl)-1-(4-phenoxyphenyl)indazole-3-carboxamide;hydroxylamine;N-hydroxy-1-(4-phenoxyphenyl)indazole-3-carboxamide;1-(4-phenoxyphenyl)indazole-3-carboxamide.
What is the SMILES notation for 2-aminoethanol;1-bromo-4-phenoxybenzene;ethyl 1H-indazole-3-carboxylate;ethyl 1-(4-phenoxyphenyl)indazole-3-carboxylate;N-(2-hydroxyethyl)-1-(4-phenoxyphenyl)indazole-3-carboxamide;hydroxylamine;N-hydroxy-1-(4-phenoxyphenyl)indazole-3-carboxamide;1-(4-phenoxyphenyl)indazole-3-carboxamide?
The canonical SMILES for 2-aminoethanol;1-bromo-4-phenoxybenzene;ethyl 1H-indazole-3-carboxylate;ethyl 1-(4-phenoxyphenyl)indazole-3-carboxylate;N-(2-hydroxyethyl)-1-(4-phenoxyphenyl)indazole-3-carboxamide;hydroxylamine;N-hydroxy-1-(4-phenoxyphenyl)indazole-3-carboxamide;1-(4-phenoxyphenyl)indazole-3-carboxamide is Brc1ccc(Oc2ccccc2)cc1.CCOC(=O)c1n[nH]c2ccccc12.CCOC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12.NC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12.NCCO.NO.O=C(NCCO)c1nn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12.O=C(NO)c1nn(-c2ccc(Oc3ccccc3)cc2)c2ccccc12.
What is the InChIKey of 2-aminoethanol;1-bromo-4-phenoxybenzene;ethyl 1H-indazole-3-carboxylate;ethyl 1-(4-phenoxyphenyl)indazole-3-carboxylate;N-(2-hydroxyethyl)-1-(4-phenoxyphenyl)indazole-3-carboxamide;hydroxylamine;N-hydroxy-1-(4-phenoxyphenyl)indazole-3-carboxamide;1-(4-phenoxyphenyl)indazole-3-carboxamide?
The InChIKey is IEJHMODTCFYALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3.C22H18N2O3.C20H15N3O3.C20H15N3O2.C12H9BrO.C10H10N2O2.C2H7NO.H3NO/c26-15-14-23-22(27)21-19-8-4-5-9-20(19)25(24-21)16-10-12-18(13-11-16)28-17-6-2-1-3-7-17;1-2-26-22(25)21-19-10-6-7-11-20(19)24(23-21)16-12-14-18(15-13-16)27-17-8-4-3-5-9-17;24-20(22-25)19-17-8-4-5-9-18(17)23(21-19)14-10-12-16(13-11-14)26-15-6-2-1-3-7-15;21-20(24)19-17-8-4-5-9-18(17)23(22-19)14-10-12-16(13-11-14)25-15-6-2-1-3-7-15;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;1-2-14-10(13)9-7-5-3-4-6-8(7)11-12-9;3-1-2-4;1-2/h1-13,26H,14-15H2,(H,23,27);3-15H,2H2,1H3;1-13,25H,(H,22,24);1-13H,(H2,21,24);1-9H;3-6H,2H2,1H3,(H,11,12);4H,1-3H2;2H,1H2.
What are the key properties of 2-aminoethanol;1-bromo-4-phenoxybenzene;ethyl 1H-indazole-3-carboxylate;ethyl 1-(4-phenoxyphenyl)indazole-3-carboxylate;N-(2-hydroxyethyl)-1-(4-phenoxyphenyl)indazole-3-carboxamide;hydroxylamine;N-hydroxy-1-(4-phenoxyphenyl)indazole-3-carboxamide;1-(4-phenoxyphenyl)indazole-3-carboxamide?
2-aminoethanol;1-bromo-4-phenoxybenzene;ethyl 1H-indazole-3-carboxylate;ethyl 1-(4-phenoxyphenyl)indazole-3-carboxylate;N-(2-hydroxyethyl)-1-(4-phenoxyphenyl)indazole-3-carboxamide;hydroxylamine;N-hydroxy-1-(4-phenoxyphenyl)indazole-3-carboxamide;1-(4-phenoxyphenyl)indazole-3-carboxamide has a molecular weight of 1939.95 g/mol, XLogP of 20.64, 24 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;1-bromo-4-phenoxybenzene;ethyl 1H-indazole-3-carboxylate;ethyl 1-(4-phenoxyphenyl)indazole-3-carboxylate;N-(2-hydroxyethyl)-1-(4-phenoxyphenyl)indazole-3-carboxamide;hydroxylamine;N-hydroxy-1-(4-phenoxyphenyl)indazole-3-carboxamide;1-(4-phenoxyphenyl)indazole-3-carboxamide is sourced from PubChem (CID 158674718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).