2-chloro-5-fluoro-N-[4-[(2'E)-2'-hydrazinylidenespiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl]phenyl]benzamide;2-chloro-5-fluoro-N-[4-(2'-oxospiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl)phenyl]benzamide;hydrazine

C56H54Cl2F2N8O5 — CID 172928438

IUPAC2-chloro-5-fluoro-N-[4-[(2'E)-2'-hydrazinylidenespiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl]phenyl]benzamide;2-chloro-5-fluoro-N-[4-(2'-oxospiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl)phenyl]benzamide;hydrazine
SMILESN/N=C1\CCCC12CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2.NN.O=C(Nc1ccc(C(=O)N2CCC3(CCCC3=O)Cc3ccccc32)cc1)c1cc(F)ccc1Cl
InChIInChI=1S/C28H26ClFN4O2.C28H24ClFN2O3.H4N2/c29-23-12-9-20(30)16-22(23)26(35)32-21-10-7-18(8-11-21)27(36)34-15-14-28(13-3-6-25(28)33-31)17-19-4-1-2-5-24(19)34;29-23-12-9-20(30)16-22(23)26(34)31-21-10-7-18(8-11-21)27(35)32-15-14-28(13-3-6-25(28)33)17-19-4-1-2-5-24(19)32;1-2/h1-2,4-5,7-12,16H,3,6,13-15,17,31H2,(H,32,35);1-2,4-5,7-12,16H,3,6,13-15,17H2,(H,31,34);1-2H2/b33-25+;;
InChIKeyUEICZVANNJRXEI-HYKKVFKBSA-N
MW1028.00 g/mol
LogP10.69
Rot. Bonds6

About 2-chloro-5-fluoro-N-[4-[(2'E)-2'-hydrazinylidenespiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl]phenyl]benzamide;2-chloro-5-fluoro-N-[4-(2'-oxospiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl)phenyl]benzamide;hydrazine

2-chloro-5-fluoro-N-[4-[(2'E)-2'-hydrazinylidenespiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl]phenyl]benzamide;2-chloro-5-fluoro-N-[4-(2'-oxospiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl)phenyl]benzamide;hydrazine (PubChem CID 172928438) has the molecular formula C56H54Cl2F2N8O5 and a molecular weight of 1028.00 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[4-[(2'E)-2'-hydrazinylidenespiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl]phenyl]benzamide;2-chloro-5-fluoro-N-[4-(2'-oxospiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl)phenyl]benzamide;hydrazine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[4-[(2'E)-2'-hydrazinylidenespiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl]phenyl]benzamide;2-chloro-5-fluoro-N-[4-(2'-oxospiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl)phenyl]benzamide;hydrazine
PubChem CID172928438
Molecular FormulaC56H54Cl2F2N8O5
Molecular Weight1028.00 g/mol
Exact Mass1026.36
IUPAC Name2-chloro-5-fluoro-N-[4-[(2'E)-2'-hydrazinylidenespiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl]phenyl]benzamide;2-chloro-5-fluoro-N-[4-(2'-oxospiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl)phenyl]benzamide;hydrazine
SMILESN/N=C1\CCCC12CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2.NN.O=C(Nc1ccc(C(=O)N2CCC3(CCCC3=O)Cc3ccccc32)cc1)c1cc(F)ccc1Cl
InChIInChI=1S/C28H26ClFN4O2.C28H24ClFN2O3.H4N2/c29-23-12-9-20(30)16-22(23)26(35)32-21-10-7-18(8-11-21)27(36)34-15-14-28(13-3-6-25(28)33-31)17-19-4-1-2-5-24(19)34;29-23-12-9-20(30)16-22(23)26(34)31-21-10-7-18(8-11-21)27(35)32-15-14-28(13-3-6-25(28)33)17-19-4-1-2-5-24(19)32;1-2/h1-2,4-5,7-12,16H,3,6,13-15,17,31H2,(H,32,35);1-2,4-5,7-12,16H,3,6,13-15,17H2,(H,31,34);1-2H2/b33-25+;;
InChIKeyUEICZVANNJRXEI-HYKKVFKBSA-N
XLogP10.69
TPSA206.31 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001028.00
LogP ≤ 510.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-5-fluoro-N-[4-[(2'E)-2'-hydrazinylidenespiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl]phenyl]benzamide;2-chloro-5-fluoro-N-[4-(2'-oxospiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl)phenyl]benzamide;hydrazine with MolForge

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Related Compounds

5-fluoro-N-[4-[(2'E)-2'-hydroxyiminospiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl]phenyl]-2-methylbenzamide
CID 25129938
ethyl 2-[1-[4-[(2-chloro-5-fluorobenzoyl)amino]benzoyl]-2'-oxospiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-1'-yl]acetate
CID 24758766
N-[4-[(2'E)-2'-(aminomethylidene)spiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl]phenyl]-2-phenylbenzamide
CID 59862314
(4R)-1-[2-amino-4-[(2-chloro-5-fluorobenzoyl)amino]benzoyl]spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxylic acid
CID 11466764
2-chloro-5-fluoro-N-[2-methoxy-4-[(4R)-3'-methoxyiminospiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl]phenyl]benzamide
CID 87761783
4-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)benzamide
CID 109049539
N-[4-[(4R)-3'-(2-amino-2-oxoethylidene)spiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl]-2-methoxyphenyl]-2-chloro-5-fluorobenzamide
CID 69174914
2-chloro-5-fluoro-N-[2-methoxy-4-[(4R)-3'-methylidenespiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl]phenyl]benzamide
CID 67569906
1-[4-[(5-fluoro-2-methylbenzoyl)amino]benzoyl]-N-(3-pyrrol-1-ylpropyl)spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclopentene]-1'-carboxamide
CID 58879827
2-fluoro-N-[4-(spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-carbonyl)phenyl]benzamide
CID 23598556
2-chloro-N-[4-[(3'E,4R)-3'-ethylidenespiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl]-2-methoxyphenyl]-5-fluorobenzamide
CID 71044286
N-phenyl-4-(spiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclohexane]-1-carbonyl)benzamide
CID 142106799

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[4-[(2'E)-2'-hydrazinylidenespiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl]phenyl]benzamide;2-chloro-5-fluoro-N-[4-(2'-oxospiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl)phenyl]benzamide;hydrazine?
The IUPAC name of 2-chloro-5-fluoro-N-[4-[(2'E)-2'-hydrazinylidenespiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl]phenyl]benzamide;2-chloro-5-fluoro-N-[4-(2'-oxospiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl)phenyl]benzamide;hydrazine (CID 172928438) is 2-chloro-5-fluoro-N-[4-[(2'E)-2'-hydrazinylidenespiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl]phenyl]benzamide;2-chloro-5-fluoro-N-[4-(2'-oxospiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl)phenyl]benzamide;hydrazine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[4-[(2'E)-2'-hydrazinylidenespiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl]phenyl]benzamide;2-chloro-5-fluoro-N-[4-(2'-oxospiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl)phenyl]benzamide;hydrazine?
The canonical SMILES for 2-chloro-5-fluoro-N-[4-[(2'E)-2'-hydrazinylidenespiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl]phenyl]benzamide;2-chloro-5-fluoro-N-[4-(2'-oxospiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl)phenyl]benzamide;hydrazine is N/N=C1\CCCC12CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2.NN.O=C(Nc1ccc(C(=O)N2CCC3(CCCC3=O)Cc3ccccc32)cc1)c1cc(F)ccc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-N-[4-[(2'E)-2'-hydrazinylidenespiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl]phenyl]benzamide;2-chloro-5-fluoro-N-[4-(2'-oxospiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl)phenyl]benzamide;hydrazine?
The InChIKey is UEICZVANNJRXEI-HYKKVFKBSA-N. The full InChI is InChI=1S/C28H26ClFN4O2.C28H24ClFN2O3.H4N2/c29-23-12-9-20(30)16-22(23)26(35)32-21-10-7-18(8-11-21)27(36)34-15-14-28(13-3-6-25(28)33-31)17-19-4-1-2-5-24(19)34;29-23-12-9-20(30)16-22(23)26(34)31-21-10-7-18(8-11-21)27(35)32-15-14-28(13-3-6-25(28)33)17-19-4-1-2-5-24(19)32;1-2/h1-2,4-5,7-12,16H,3,6,13-15,17,31H2,(H,32,35);1-2,4-5,7-12,16H,3,6,13-15,17H2,(H,31,34);1-2H2/b33-25+;;.
What are the key properties of 2-chloro-5-fluoro-N-[4-[(2'E)-2'-hydrazinylidenespiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl]phenyl]benzamide;2-chloro-5-fluoro-N-[4-(2'-oxospiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl)phenyl]benzamide;hydrazine?
2-chloro-5-fluoro-N-[4-[(2'E)-2'-hydrazinylidenespiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl]phenyl]benzamide;2-chloro-5-fluoro-N-[4-(2'-oxospiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl)phenyl]benzamide;hydrazine has a molecular weight of 1028.00 g/mol, XLogP of 10.69, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[4-[(2'E)-2'-hydrazinylidenespiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl]phenyl]benzamide;2-chloro-5-fluoro-N-[4-(2'-oxospiro[3,5-dihydro-2H-1-benzazepine-4,1'-cyclopentane]-1-carbonyl)phenyl]benzamide;hydrazine is sourced from PubChem (CID 172928438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).