(3-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid

C11H15ClNO5P — CID 69006691

IUPAC(3-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid
SMILESCCOC(=O)C(C)NP(=O)(O)Oc1cccc(Cl)c1
InChIInChI=1S/C11H15ClNO5P/c1-3-17-11(14)8(2)13-19(15,16)18-10-6-4-5-9(12)7-10/h4-8H,3H2,1-2H3,(H2,13,15,16)
InChIKeyNYUWZNGUYJVDOW-UHFFFAOYSA-N
MW307.67 g/mol
LogP2.36
Rot. Bonds6

About (3-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid

(3-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid (PubChem CID 69006691) has the molecular formula C11H15ClNO5P and a molecular weight of 307.67 g/mol. Its IUPAC name is (3-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid.

Molecular Properties

Compound Name(3-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid
PubChem CID69006691
Molecular FormulaC11H15ClNO5P
Molecular Weight307.67 g/mol
Exact Mass307.04
IUPAC Name(3-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid
SMILESCCOC(=O)C(C)NP(=O)(O)Oc1cccc(Cl)c1
InChIInChI=1S/C11H15ClNO5P/c1-3-17-11(14)8(2)13-19(15,16)18-10-6-4-5-9(12)7-10/h4-8H,3H2,1-2H3,(H2,13,15,16)
InChIKeyNYUWZNGUYJVDOW-UHFFFAOYSA-N
XLogP2.36
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.67
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-ethoxy-1-oxopropan-2-yl]-phenoxyphosphonamidic acid
CID 141478072
(2-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid
CID 69010591
ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate
CID 47368061
ethyl (2S)-2-[[(4-chlorophenoxy)-methylphosphoryl]amino]propanoate
CID 59483411
ethyl 2-[bis(3-chlorophenoxy)phosphorylmethylamino]acetate
CID 88812468
N-[(2S)-1-(2,2-dimethylpropoxy)-1-oxopropan-2-yl]-naphthalen-2-yloxyphosphonamidic acid
CID 90050405
ethyl 2-[(2,5-dichlorobenzoyl)amino]propanoate
CID 61343869
ethyl 2-[[2-methylpropyl(phenoxy)phosphoryl]amino]propanoate
CID 134359855
ethyl (2R)-2-[[tert-butyl(phenoxy)phosphoryl]amino]propanoate
CID 122527443
(4-chlorophenoxy)-N-[(2S)-1-ethoxy-1-oxobut-3-en-2-yl]phosphonamidic acid
CID 130280548
ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate
CID 54960145
(3-chlorophenyl) N-pentan-2-ylcarbamate
CID 174677253

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid?
The IUPAC name of (3-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid (CID 69006691) is (3-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid.
What is the SMILES notation for (3-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid?
The canonical SMILES for (3-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid is CCOC(=O)C(C)NP(=O)(O)Oc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid?
The InChIKey is NYUWZNGUYJVDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClNO5P/c1-3-17-11(14)8(2)13-19(15,16)18-10-6-4-5-9(12)7-10/h4-8H,3H2,1-2H3,(H2,13,15,16).
What are the key properties of (3-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid?
(3-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid has a molecular weight of 307.67 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenoxy)-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid is sourced from PubChem (CID 69006691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).