carbanide;[2-[(2,4-dichlorophenyl)methyl]-1-oxo-4,5-dihydro-3H-2-benzazepin-7-yl]azanide;oxoosmium

C18H18Cl2N2O2Os-2 — CID 171107773

IUPACcarbanide;[2-[(2,4-dichlorophenyl)methyl]-1-oxo-4,5-dihydro-3H-2-benzazepin-7-yl]azanide;oxoosmium
SMILESO=[Os].[CH3-].[NH-]c1ccc2c(c1)CCCN(Cc1ccc(Cl)cc1Cl)C2=O
InChIInChI=1S/C17H16Cl2N2O.CH3.O.Os/c18-13-4-3-12(16(19)9-13)10-21-7-1-2-11-8-14(20)5-6-15(11)17(21)22;;;/h3-6,8-9H,1-2,7,10H2,(H2,20,22);1H3;;/q;-1;;/p-1
InChIKeyIZEHUFKOWSNARD-UHFFFAOYSA-M
MW555.49 g/mol
LogP5.59
Rot. Bonds2

About carbanide;[2-[(2,4-dichlorophenyl)methyl]-1-oxo-4,5-dihydro-3H-2-benzazepin-7-yl]azanide;oxoosmium

carbanide;[2-[(2,4-dichlorophenyl)methyl]-1-oxo-4,5-dihydro-3H-2-benzazepin-7-yl]azanide;oxoosmium (PubChem CID 171107773) has the molecular formula C18H18Cl2N2O2Os-2 and a molecular weight of 555.49 g/mol. Its IUPAC name is carbanide;[2-[(2,4-dichlorophenyl)methyl]-1-oxo-4,5-dihydro-3H-2-benzazepin-7-yl]azanide;oxoosmium.

Molecular Properties

Compound Namecarbanide;[2-[(2,4-dichlorophenyl)methyl]-1-oxo-4,5-dihydro-3H-2-benzazepin-7-yl]azanide;oxoosmium
PubChem CID171107773
Molecular FormulaC18H18Cl2N2O2Os-2
Molecular Weight555.49 g/mol
Exact Mass556.04
IUPAC Namecarbanide;[2-[(2,4-dichlorophenyl)methyl]-1-oxo-4,5-dihydro-3H-2-benzazepin-7-yl]azanide;oxoosmium
SMILESO=[Os].[CH3-].[NH-]c1ccc2c(c1)CCCN(Cc1ccc(Cl)cc1Cl)C2=O
InChIInChI=1S/C17H16Cl2N2O.CH3.O.Os/c18-13-4-3-12(16(19)9-13)10-21-7-1-2-11-8-14(20)5-6-15(11)17(21)22;;;/h3-6,8-9H,1-2,7,10H2,(H2,20,22);1H3;;/q;-1;;/p-1
InChIKeyIZEHUFKOWSNARD-UHFFFAOYSA-M
XLogP5.59
TPSA61.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.49
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;[2-[(2,4-dichlorophenyl)methyl]-1-oxo-4,5-dihydro-3H-2-benzazepin-7-yl]azanide;oxoosmium?
The IUPAC name of carbanide;[2-[(2,4-dichlorophenyl)methyl]-1-oxo-4,5-dihydro-3H-2-benzazepin-7-yl]azanide;oxoosmium (CID 171107773) is carbanide;[2-[(2,4-dichlorophenyl)methyl]-1-oxo-4,5-dihydro-3H-2-benzazepin-7-yl]azanide;oxoosmium.
What is the SMILES notation for carbanide;[2-[(2,4-dichlorophenyl)methyl]-1-oxo-4,5-dihydro-3H-2-benzazepin-7-yl]azanide;oxoosmium?
The canonical SMILES for carbanide;[2-[(2,4-dichlorophenyl)methyl]-1-oxo-4,5-dihydro-3H-2-benzazepin-7-yl]azanide;oxoosmium is O=[Os].[CH3-].[NH-]c1ccc2c(c1)CCCN(Cc1ccc(Cl)cc1Cl)C2=O.
What is the InChIKey of carbanide;[2-[(2,4-dichlorophenyl)methyl]-1-oxo-4,5-dihydro-3H-2-benzazepin-7-yl]azanide;oxoosmium?
The InChIKey is IZEHUFKOWSNARD-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H16Cl2N2O.CH3.O.Os/c18-13-4-3-12(16(19)9-13)10-21-7-1-2-11-8-14(20)5-6-15(11)17(21)22;;;/h3-6,8-9H,1-2,7,10H2,(H2,20,22);1H3;;/q;-1;;/p-1.
What are the key properties of carbanide;[2-[(2,4-dichlorophenyl)methyl]-1-oxo-4,5-dihydro-3H-2-benzazepin-7-yl]azanide;oxoosmium?
carbanide;[2-[(2,4-dichlorophenyl)methyl]-1-oxo-4,5-dihydro-3H-2-benzazepin-7-yl]azanide;oxoosmium has a molecular weight of 555.49 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;[2-[(2,4-dichlorophenyl)methyl]-1-oxo-4,5-dihydro-3H-2-benzazepin-7-yl]azanide;oxoosmium is sourced from PubChem (CID 171107773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).