[(Z)-1-(4-bromophenyl)ethylideneamino] diethyl phosphate

C12H17BrNO4P — CID 5382095

IUPAC[(Z)-1-(4-bromophenyl)ethylideneamino] diethyl phosphate
SMILESCCOP(=O)(OCC)O/N=C(/C)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrNO4P/c1-4-16-19(15,17-5-2)18-14-10(3)11-6-8-12(13)9-7-11/h6-9H,4-5H2,1-3H3/b14-10-
InChIKeyMGXNKUZWBRRZNP-UVTDQMKNSA-N
MW350.15 g/mol
LogP4.37
Rot. Bonds7

About [(Z)-1-(4-bromophenyl)ethylideneamino] diethyl phosphate

[(Z)-1-(4-bromophenyl)ethylideneamino] diethyl phosphate (PubChem CID 5382095) has the molecular formula C12H17BrNO4P and a molecular weight of 350.15 g/mol. Its IUPAC name is [(Z)-1-(4-bromophenyl)ethylideneamino] diethyl phosphate.

Molecular Properties

Compound Name[(Z)-1-(4-bromophenyl)ethylideneamino] diethyl phosphate
PubChem CID5382095
Molecular FormulaC12H17BrNO4P
Molecular Weight350.15 g/mol
Exact Mass349.01
IUPAC Name[(Z)-1-(4-bromophenyl)ethylideneamino] diethyl phosphate
SMILESCCOP(=O)(OCC)O/N=C(/C)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrNO4P/c1-4-16-19(15,17-5-2)18-14-10(3)11-6-8-12(13)9-7-11/h6-9H,4-5H2,1-3H3/b14-10-
InChIKeyMGXNKUZWBRRZNP-UVTDQMKNSA-N
XLogP4.37
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.15
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-N-[[1-(4-bromophenyl)ethylideneamino]oxymethoxy]ethanimine
CID 2826848
2-diethoxyphosphoryloxyimino-2-(4-methylsulfanylphenyl)acetic acid
CID 57016731
(E)-1-(4-bromophenyl)-3-diethoxyphosphorylprop-2-en-1-one
CID 163323388
[1-[4-[4-(N-acetyloxy-C-methylcarbonimidoyl)-N-[4-(4-bromobenzoyl)phenyl]anilino]phenyl]ethylideneamino] acetate
CID 76742398
(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine
CID 71724198
(5-bromo-2-pyridinyl)methyl diethyl phosphate
CID 159956627
diethyl [(E)-1-phenylpent-4-enylideneamino] phosphate
CID 24950663
1-bromo-4-diethoxyphosphorylsulfanylbenzene
CID 102108060
1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene
CID 6376326
1-[4-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl]-N-methoxyethanimine
CID 88711008
2-(4-bromophenyl)-1-diethoxyphosphorylpropan-2-ol
CID 54753286
1-(4-bromophenyl)ethanone;butane
CID 69403420

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(4-bromophenyl)ethylideneamino] diethyl phosphate?
The IUPAC name of [(Z)-1-(4-bromophenyl)ethylideneamino] diethyl phosphate (CID 5382095) is [(Z)-1-(4-bromophenyl)ethylideneamino] diethyl phosphate.
What is the SMILES notation for [(Z)-1-(4-bromophenyl)ethylideneamino] diethyl phosphate?
The canonical SMILES for [(Z)-1-(4-bromophenyl)ethylideneamino] diethyl phosphate is CCOP(=O)(OCC)O/N=C(/C)c1ccc(Br)cc1.
What is the InChIKey of [(Z)-1-(4-bromophenyl)ethylideneamino] diethyl phosphate?
The InChIKey is MGXNKUZWBRRZNP-UVTDQMKNSA-N. The full InChI is InChI=1S/C12H17BrNO4P/c1-4-16-19(15,17-5-2)18-14-10(3)11-6-8-12(13)9-7-11/h6-9H,4-5H2,1-3H3/b14-10-.
What are the key properties of [(Z)-1-(4-bromophenyl)ethylideneamino] diethyl phosphate?
[(Z)-1-(4-bromophenyl)ethylideneamino] diethyl phosphate has a molecular weight of 350.15 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(4-bromophenyl)ethylideneamino] diethyl phosphate is sourced from PubChem (CID 5382095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).