[(Z)-2-chloro-1-(methoxycarbonylamino)ethenyl]-triphenylphosphanium perchlorate

C22H20Cl2NO6P — CID 45046059

IUPAC[(Z)-2-chloro-1-(methoxycarbonylamino)ethenyl]-triphenylphosphanium perchlorate
SMILESCOC(=O)N/C(=C/Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C22H19ClNO2P.ClHO4/c1-26-22(25)24-21(17-23)27(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;2-1(3,4)5/h2-17H,1H3;(H,2,3,4,5)/b21-17-;
InChIKeyHDOPSOXJEFRSOZ-BMEBGVJCSA-N
MW496.28 g/mol
LogP-0.38
Rot. Bonds5

About [(Z)-2-chloro-1-(methoxycarbonylamino)ethenyl]-triphenylphosphanium perchlorate

[(Z)-2-chloro-1-(methoxycarbonylamino)ethenyl]-triphenylphosphanium perchlorate (PubChem CID 45046059) has the molecular formula C22H20Cl2NO6P and a molecular weight of 496.28 g/mol. Its IUPAC name is [(Z)-2-chloro-1-(methoxycarbonylamino)ethenyl]-triphenylphosphanium perchlorate.

Molecular Properties

Compound Name[(Z)-2-chloro-1-(methoxycarbonylamino)ethenyl]-triphenylphosphanium perchlorate
PubChem CID45046059
Molecular FormulaC22H20Cl2NO6P
Molecular Weight496.28 g/mol
Exact Mass495.04
IUPAC Name[(Z)-2-chloro-1-(methoxycarbonylamino)ethenyl]-triphenylphosphanium perchlorate
SMILESCOC(=O)N/C(=C/Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C22H19ClNO2P.ClHO4/c1-26-22(25)24-21(17-23)27(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;2-1(3,4)5/h2-17H,1H3;(H,2,3,4,5)/b21-17-;
InChIKeyHDOPSOXJEFRSOZ-BMEBGVJCSA-N
XLogP-0.38
TPSA130.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1-benzamido-2-chloroethenyl)-triphenylphosphanium perchlorate
CID 71952443
[2,2-dichloro-1-(methoxycarbonylamino)ethenyl]-triphenylphosphanium;hydrochloride
CID 126959400
[(E)-2-benzamido-1-chloro-3-methoxy-3-oxoprop-1-enyl]-triphenylphosphanium perchlorate
CID 75366372
(1-benzamido-2-ethylsulfanylethenyl)-triphenylphosphanium perchlorate
CID 71952488
methyl carbonobromidate;methyl(triphenyl)phosphanium
CID 146562792
(Z)-2-[(4-chlorobenzoyl)amino]-2-triphenylphosphaniumylethenethiolate
CID 135443043
dimethyl(diphenyl)phosphanium perchlorate
CID 71333893
methyl N-[(Z)-1-phenylsulfanylprop-1-en-2-yl]carbamate
CID 12963032
(4-methoxycarbonylphenyl)-methyl-diphenylphosphanium
CID 19831324
(1-benzamido-2,2-dichloroethenyl)-triphenylphosphanium;perchloric acid
CID 126959055
methyl N-(2-benzoyl-3-oxo-3-phenylpropanoyl)carbamate
CID 15153385
methyl N-(phenylcarbamoyl)carbamate
CID 13097714

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-chloro-1-(methoxycarbonylamino)ethenyl]-triphenylphosphanium perchlorate?
The IUPAC name of [(Z)-2-chloro-1-(methoxycarbonylamino)ethenyl]-triphenylphosphanium perchlorate (CID 45046059) is [(Z)-2-chloro-1-(methoxycarbonylamino)ethenyl]-triphenylphosphanium perchlorate.
What is the SMILES notation for [(Z)-2-chloro-1-(methoxycarbonylamino)ethenyl]-triphenylphosphanium perchlorate?
The canonical SMILES for [(Z)-2-chloro-1-(methoxycarbonylamino)ethenyl]-triphenylphosphanium perchlorate is COC(=O)N/C(=C/Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [(Z)-2-chloro-1-(methoxycarbonylamino)ethenyl]-triphenylphosphanium perchlorate?
The InChIKey is HDOPSOXJEFRSOZ-BMEBGVJCSA-N. The full InChI is InChI=1S/C22H19ClNO2P.ClHO4/c1-26-22(25)24-21(17-23)27(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;2-1(3,4)5/h2-17H,1H3;(H,2,3,4,5)/b21-17-;.
What are the key properties of [(Z)-2-chloro-1-(methoxycarbonylamino)ethenyl]-triphenylphosphanium perchlorate?
[(Z)-2-chloro-1-(methoxycarbonylamino)ethenyl]-triphenylphosphanium perchlorate has a molecular weight of 496.28 g/mol, XLogP of -0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-chloro-1-(methoxycarbonylamino)ethenyl]-triphenylphosphanium perchlorate is sourced from PubChem (CID 45046059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).