N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;3-bromopyridine;ethyl 8-(4-bromophenyl)-8-oxooctanoate;ethyl 8-oxo-8-(4-pyridin-3-ylphenyl)octanoate;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid

C92H106Br2N8O11 — CID 162248340

IUPACN-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;3-bromopyridine;ethyl 8-(4-bromophenyl)-8-oxooctanoate;ethyl 8-oxo-8-(4-pyridin-3-ylphenyl)octanoate;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid
SMILESBrc1cccnc1.CCOC(=O)CCCCCCC(=O)c1ccc(-c2cccnc2)cc1.CCOC(=O)CCCCCCC(=O)c1ccc(Br)cc1.Nc1ccccc1N.Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccc(-c2cccnc2)cc1.O=C(O)CCCCCCC(=O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C25H27N3O2.C21H25NO3.C19H21NO3.C16H21BrO3.C6H8N2.C5H4BrN/c26-22-9-5-6-10-23(22)28-25(30)12-4-2-1-3-11-24(29)20-15-13-19(14-16-20)21-8-7-17-27-18-21;1-2-25-21(24)10-6-4-3-5-9-20(23)18-13-11-17(12-14-18)19-8-7-15-22-16-19;21-18(7-3-1-2-4-8-19(22)23)16-11-9-15(10-12-16)17-6-5-13-20-14-17;1-2-20-16(19)8-6-4-3-5-7-15(18)13-9-11-14(17)12-10-13;7-5-3-1-2-4-6(5)8;6-5-2-1-3-7-4-5/h5-10,13-18H,1-4,11-12,26H2,(H,28,30);7-8,11-16H,2-6,9-10H2,1H3;5-6,9-14H,1-4,7-8H2,(H,22,23);9-12H,2-8H2,1H3;1-4H,7-8H2;1-4H
InChIKeyZXQLZKHDUHWEQX-UHFFFAOYSA-N
MW1659.71 g/mol
LogP21.91
Rot. Bonds38

About N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;3-bromopyridine;ethyl 8-(4-bromophenyl)-8-oxooctanoate;ethyl 8-oxo-8-(4-pyridin-3-ylphenyl)octanoate;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid

N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;3-bromopyridine;ethyl 8-(4-bromophenyl)-8-oxooctanoate;ethyl 8-oxo-8-(4-pyridin-3-ylphenyl)octanoate;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid (PubChem CID 162248340) has the molecular formula C92H106Br2N8O11 and a molecular weight of 1659.71 g/mol. Its IUPAC name is N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;3-bromopyridine;ethyl 8-(4-bromophenyl)-8-oxooctanoate;ethyl 8-oxo-8-(4-pyridin-3-ylphenyl)octanoate;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid.

Molecular Properties

Compound NameN-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;3-bromopyridine;ethyl 8-(4-bromophenyl)-8-oxooctanoate;ethyl 8-oxo-8-(4-pyridin-3-ylphenyl)octanoate;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid
PubChem CID162248340
Molecular FormulaC92H106Br2N8O11
Molecular Weight1659.71 g/mol
Exact Mass1656.63
IUPAC NameN-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;3-bromopyridine;ethyl 8-(4-bromophenyl)-8-oxooctanoate;ethyl 8-oxo-8-(4-pyridin-3-ylphenyl)octanoate;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid
SMILESBrc1cccnc1.CCOC(=O)CCCCCCC(=O)c1ccc(-c2cccnc2)cc1.CCOC(=O)CCCCCCC(=O)c1ccc(Br)cc1.Nc1ccccc1N.Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccc(-c2cccnc2)cc1.O=C(O)CCCCCCC(=O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C25H27N3O2.C21H25NO3.C19H21NO3.C16H21BrO3.C6H8N2.C5H4BrN/c26-22-9-5-6-10-23(22)28-25(30)12-4-2-1-3-11-24(29)20-15-13-19(14-16-20)21-8-7-17-27-18-21;1-2-25-21(24)10-6-4-3-5-9-20(23)18-13-11-17(12-14-18)19-8-7-15-22-16-19;21-18(7-3-1-2-4-8-19(22)23)16-11-9-15(10-12-16)17-6-5-13-20-14-17;1-2-20-16(19)8-6-4-3-5-7-15(18)13-9-11-14(17)12-10-13;7-5-3-1-2-4-6(5)8;6-5-2-1-3-7-4-5/h5-10,13-18H,1-4,11-12,26H2,(H,28,30);7-8,11-16H,2-6,9-10H2,1H3;5-6,9-14H,1-4,7-8H2,(H,22,23);9-12H,2-8H2,1H3;1-4H,7-8H2;1-4H
InChIKeyZXQLZKHDUHWEQX-UHFFFAOYSA-N
XLogP21.91
TPSA316.90 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds38
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001659.71
LogP ≤ 521.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;3-bromopyridine;ethyl 8-(4-bromophenyl)-8-oxooctanoate;ethyl 8-oxo-8-(4-pyridin-3-ylphenyl)octanoate;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid with MolForge

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Related Compounds

sodium;5-bromopyridin-3-amine;N-(5-bromo-3-pyridinyl)-3-methylbenzamide;ethyl prop-2-enoate;ethyl (E)-3-[5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]prop-2-enoate;hydroxyazanide;3-methylbenzoic acid;(E)-3-[5-[(3-methylbenzoyl)amino]-3-pyridinyl]prop-2-enoic acid
CID 160604637
2-(4-bromophenyl)acetic acid;2-(4-bromophenyl)-N-(pyridin-4-ylmethyl)acetamide;ethyl 4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]benzoate;methane;pyridin-4-ylmethanamine
CID 157805024
N-(2-aminophenyl)-8-[6-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridinyl]-8-oxooctanamide;benzene-1,2-diamine;1-bromo-4-(4-bromophenyl)benzene;4-(4-bromophenyl)benzaldehyde;4-[[4-(4-bromophenyl)phenyl]methyl]morpholine;N-hydroxy-8-[6-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridinyl]-8-oxooctanamide;methyl 8-chloro-8-oxooctanoate;methyl 8-[6-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridinyl]-8-oxooctanoate;morpholine;8-[6-[4-(morpholin-4-ylmethyl)phenyl]-3-pyridinyl]-8-oxooctanoic acid
CID 158977538
CID 158981821
CID 158981821
tert-butyl N-[2-[(4-bromobenzoyl)amino]phenyl]carbamate;tert-butyl N-[2-[(4-pyridin-4-ylbenzoyl)amino]phenyl]carbamate
CID 159112639
N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;1-(4-bromophenyl)nonane-1,8-dione;3-bromopyridine;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid;1-(4-pyridin-3-ylphenyl)nonane-1,8-dione
CID 159990296
N-(2-aminophenyl)-8-oxo-8-(6-phenyl-3-pyridinyl)octanamide;benzene-1,2-diamine;2,5-dibromopyridine;N-hydroxy-8-oxo-8-(6-phenyl-3-pyridinyl)octanamide;methyl 8-(6-bromo-3-pyridinyl)-8-oxooctanoate;methyl 8-chloro-8-oxooctanoate;methyl 8-oxo-8-(6-phenyl-3-pyridinyl)octanoate;8-oxo-8-(6-phenyl-3-pyridinyl)octanoic acid;phenylboronic acid
CID 161517913
acetic acid;azane;2-(4-bromophenyl)-4-phenyl-6-pyridin-2-ylpyridine;1-(4-bromophenyl)-2-pyridin-1-ium-1-ylethanone;ethanol;(E)-3-phenyl-1-pyridin-2-ylprop-2-en-1-one;bromide
CID 162097192

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;3-bromopyridine;ethyl 8-(4-bromophenyl)-8-oxooctanoate;ethyl 8-oxo-8-(4-pyridin-3-ylphenyl)octanoate;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid?
The IUPAC name of N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;3-bromopyridine;ethyl 8-(4-bromophenyl)-8-oxooctanoate;ethyl 8-oxo-8-(4-pyridin-3-ylphenyl)octanoate;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid (CID 162248340) is N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;3-bromopyridine;ethyl 8-(4-bromophenyl)-8-oxooctanoate;ethyl 8-oxo-8-(4-pyridin-3-ylphenyl)octanoate;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid.
What is the SMILES notation for N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;3-bromopyridine;ethyl 8-(4-bromophenyl)-8-oxooctanoate;ethyl 8-oxo-8-(4-pyridin-3-ylphenyl)octanoate;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid?
The canonical SMILES for N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;3-bromopyridine;ethyl 8-(4-bromophenyl)-8-oxooctanoate;ethyl 8-oxo-8-(4-pyridin-3-ylphenyl)octanoate;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid is Brc1cccnc1.CCOC(=O)CCCCCCC(=O)c1ccc(-c2cccnc2)cc1.CCOC(=O)CCCCCCC(=O)c1ccc(Br)cc1.Nc1ccccc1N.Nc1ccccc1NC(=O)CCCCCCC(=O)c1ccc(-c2cccnc2)cc1.O=C(O)CCCCCCC(=O)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;3-bromopyridine;ethyl 8-(4-bromophenyl)-8-oxooctanoate;ethyl 8-oxo-8-(4-pyridin-3-ylphenyl)octanoate;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid?
The InChIKey is ZXQLZKHDUHWEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2.C21H25NO3.C19H21NO3.C16H21BrO3.C6H8N2.C5H4BrN/c26-22-9-5-6-10-23(22)28-25(30)12-4-2-1-3-11-24(29)20-15-13-19(14-16-20)21-8-7-17-27-18-21;1-2-25-21(24)10-6-4-3-5-9-20(23)18-13-11-17(12-14-18)19-8-7-15-22-16-19;21-18(7-3-1-2-4-8-19(22)23)16-11-9-15(10-12-16)17-6-5-13-20-14-17;1-2-20-16(19)8-6-4-3-5-7-15(18)13-9-11-14(17)12-10-13;7-5-3-1-2-4-6(5)8;6-5-2-1-3-7-4-5/h5-10,13-18H,1-4,11-12,26H2,(H,28,30);7-8,11-16H,2-6,9-10H2,1H3;5-6,9-14H,1-4,7-8H2,(H,22,23);9-12H,2-8H2,1H3;1-4H,7-8H2;1-4H.
What are the key properties of N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;3-bromopyridine;ethyl 8-(4-bromophenyl)-8-oxooctanoate;ethyl 8-oxo-8-(4-pyridin-3-ylphenyl)octanoate;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid?
N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;3-bromopyridine;ethyl 8-(4-bromophenyl)-8-oxooctanoate;ethyl 8-oxo-8-(4-pyridin-3-ylphenyl)octanoate;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid has a molecular weight of 1659.71 g/mol, XLogP of 21.91, 38 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-8-oxo-8-(4-pyridin-3-ylphenyl)octanamide;benzene-1,2-diamine;3-bromopyridine;ethyl 8-(4-bromophenyl)-8-oxooctanoate;ethyl 8-oxo-8-(4-pyridin-3-ylphenyl)octanoate;8-oxo-8-(4-pyridin-3-ylphenyl)octanoic acid is sourced from PubChem (CID 162248340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).