N-bis(4-chlorophenoxy)phosphoryl-4-nitrobenzamide

C19H13Cl2N2O6P — CID 2303956

IUPACN-bis(4-chlorophenoxy)phosphoryl-4-nitrobenzamide
SMILESO=C(NP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H13Cl2N2O6P/c20-14-3-9-17(10-4-14)28-30(27,29-18-11-5-15(21)6-12-18)22-19(24)13-1-7-16(8-2-13)23(25)26/h1-12H,(H,22,24,27)
InChIKeyAMJNQQUSJICSKC-UHFFFAOYSA-N
MW467.20 g/mol
LogP5.90
Rot. Bonds7

About N-bis(4-chlorophenoxy)phosphoryl-4-nitrobenzamide

N-bis(4-chlorophenoxy)phosphoryl-4-nitrobenzamide (PubChem CID 2303956) has the molecular formula C19H13Cl2N2O6P and a molecular weight of 467.20 g/mol. Its IUPAC name is N-bis(4-chlorophenoxy)phosphoryl-4-nitrobenzamide.

Molecular Properties

Compound NameN-bis(4-chlorophenoxy)phosphoryl-4-nitrobenzamide
PubChem CID2303956
Molecular FormulaC19H13Cl2N2O6P
Molecular Weight467.20 g/mol
Exact Mass465.99
IUPAC NameN-bis(4-chlorophenoxy)phosphoryl-4-nitrobenzamide
SMILESO=C(NP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H13Cl2N2O6P/c20-14-3-9-17(10-4-14)28-30(27,29-18-11-5-15(21)6-12-18)22-19(24)13-1-7-16(8-2-13)23(25)26/h1-12H,(H,22,24,27)
InChIKeyAMJNQQUSJICSKC-UHFFFAOYSA-N
XLogP5.90
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.20
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl (2S)-2-[[(4-chlorophenoxy)-(4-nitrophenoxy)phosphoryl]amino]propanoate
CID 156688312
N-[(4-chlorophenyl)carbamoyl]-4-nitrobenzamide
CID 71412019
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 26850877
chloro-(4-nitrophenoxy)phosphinic acid
CID 54199741
[(4-chlorobenzoyl)amino]-(4-nitrophenyl)azanium chloride
CID 18531718
(E)-1-(4-chlorophenyl)-2-(4-nitrophenoxy)-3-(4-nitrophenyl)prop-2-en-1-one
CID 10717249
carbonochloridic acid;1-chloro-4-nitrobenzene
CID 88640216
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-nitrobenzoate
CID 7859421
CID 70381437
CID 70381437
azane;(4-nitrophenyl) dihydrogen phosphate
CID 118856328
N-[(4-chlorophenyl)carbamothioyl]-4-nitrobenzamide
CID 702118

Frequently Asked Questions

What is the IUPAC name of N-bis(4-chlorophenoxy)phosphoryl-4-nitrobenzamide?
The IUPAC name of N-bis(4-chlorophenoxy)phosphoryl-4-nitrobenzamide (CID 2303956) is N-bis(4-chlorophenoxy)phosphoryl-4-nitrobenzamide.
What is the SMILES notation for N-bis(4-chlorophenoxy)phosphoryl-4-nitrobenzamide?
The canonical SMILES for N-bis(4-chlorophenoxy)phosphoryl-4-nitrobenzamide is O=C(NP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-bis(4-chlorophenoxy)phosphoryl-4-nitrobenzamide?
The InChIKey is AMJNQQUSJICSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N2O6P/c20-14-3-9-17(10-4-14)28-30(27,29-18-11-5-15(21)6-12-18)22-19(24)13-1-7-16(8-2-13)23(25)26/h1-12H,(H,22,24,27).
What are the key properties of N-bis(4-chlorophenoxy)phosphoryl-4-nitrobenzamide?
N-bis(4-chlorophenoxy)phosphoryl-4-nitrobenzamide has a molecular weight of 467.20 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(4-chlorophenoxy)phosphoryl-4-nitrobenzamide is sourced from PubChem (CID 2303956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).