N-(2,2-dichloroethenyl)benzamide;dihydroxy(oxo)phosphanium

C9H9Cl2NO4P+ — CID 174677008

IUPACN-(2,2-dichloroethenyl)benzamide;dihydroxy(oxo)phosphanium
SMILESO=C(NC=C(Cl)Cl)c1ccccc1.O=[P+](O)O
InChIInChI=1S/C9H7Cl2NO.HO3P/c10-8(11)6-12-9(13)7-4-2-1-3-5-7;1-4(2)3/h1-6H,(H,12,13);(H-,1,2,3)/p+1
InChIKeyZAJZUDUNIXSIFF-UHFFFAOYSA-O
MW297.05 g/mol
LogP2.32
Rot. Bonds2

About N-(2,2-dichloroethenyl)benzamide;dihydroxy(oxo)phosphanium

N-(2,2-dichloroethenyl)benzamide;dihydroxy(oxo)phosphanium (PubChem CID 174677008) has the molecular formula C9H9Cl2NO4P+ and a molecular weight of 297.05 g/mol. Its IUPAC name is N-(2,2-dichloroethenyl)benzamide;dihydroxy(oxo)phosphanium.

Molecular Properties

Compound NameN-(2,2-dichloroethenyl)benzamide;dihydroxy(oxo)phosphanium
PubChem CID174677008
Molecular FormulaC9H9Cl2NO4P+
Molecular Weight297.05 g/mol
Exact Mass295.96
IUPAC NameN-(2,2-dichloroethenyl)benzamide;dihydroxy(oxo)phosphanium
SMILESO=C(NC=C(Cl)Cl)c1ccccc1.O=[P+](O)O
InChIInChI=1S/C9H7Cl2NO.HO3P/c10-8(11)6-12-9(13)7-4-2-1-3-5-7;1-4(2)3/h1-6H,(H,12,13);(H-,1,2,3)/p+1
InChIKeyZAJZUDUNIXSIFF-UHFFFAOYSA-O
XLogP2.32
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.05
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dichloroethenyl)benzamide
CID 2131512
N-(2-cyano-2-phenylethenyl)benzamide
CID 570201
N-[(Z)-3-amino-2-methyl-3-oxoprop-1-enyl]benzamide
CID 11846933
N-(2,2-dichloroethenyl)-2-methoxybenzamide
CID 12837648
N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide
CID 102308068
lead(2+);bis(N-oxidobenzamide)
CID 174994108
N-(4,4-dichloro-2-methylbut-3-en-2-yl)benzamide
CID 88654986
N-[(Z)-2-methoxyethenyl]benzamide
CID 92959913
N-[(Z)-3-amino-3-oxoprop-1-enyl]benzamide
CID 102327969
N-[(1Z,3E)-2-ethylhexa-1,3-dienyl]benzamide
CID 101347654
N-[2-(4-chlorophenyl)ethenyl]benzamide
CID 76527848
N-(3,3-dimethylbut-1-enyl)benzamide
CID 134831914

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dichloroethenyl)benzamide;dihydroxy(oxo)phosphanium?
The IUPAC name of N-(2,2-dichloroethenyl)benzamide;dihydroxy(oxo)phosphanium (CID 174677008) is N-(2,2-dichloroethenyl)benzamide;dihydroxy(oxo)phosphanium.
What is the SMILES notation for N-(2,2-dichloroethenyl)benzamide;dihydroxy(oxo)phosphanium?
The canonical SMILES for N-(2,2-dichloroethenyl)benzamide;dihydroxy(oxo)phosphanium is O=C(NC=C(Cl)Cl)c1ccccc1.O=[P+](O)O.
What is the InChIKey of N-(2,2-dichloroethenyl)benzamide;dihydroxy(oxo)phosphanium?
The InChIKey is ZAJZUDUNIXSIFF-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H7Cl2NO.HO3P/c10-8(11)6-12-9(13)7-4-2-1-3-5-7;1-4(2)3/h1-6H,(H,12,13);(H-,1,2,3)/p+1.
What are the key properties of N-(2,2-dichloroethenyl)benzamide;dihydroxy(oxo)phosphanium?
N-(2,2-dichloroethenyl)benzamide;dihydroxy(oxo)phosphanium has a molecular weight of 297.05 g/mol, XLogP of 2.32, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dichloroethenyl)benzamide;dihydroxy(oxo)phosphanium is sourced from PubChem (CID 174677008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).