N-(diethoxyphosphorylmethyl)-4-iodo-N-methylbenzamide

C13H19INO4P — CID 2872148

IUPACN-(diethoxyphosphorylmethyl)-4-iodo-N-methylbenzamide
SMILESCCOP(=O)(CN(C)C(=O)c1ccc(I)cc1)OCC
InChIInChI=1S/C13H19INO4P/c1-4-18-20(17,19-5-2)10-15(3)13(16)11-6-8-12(14)9-7-11/h6-9H,4-5,10H2,1-3H3
InChIKeyJSDBIIJJLDXNEC-UHFFFAOYSA-N
MW411.18 g/mol
LogP3.59
Rot. Bonds7

About N-(diethoxyphosphorylmethyl)-4-iodo-N-methylbenzamide

N-(diethoxyphosphorylmethyl)-4-iodo-N-methylbenzamide (PubChem CID 2872148) has the molecular formula C13H19INO4P and a molecular weight of 411.18 g/mol. Its IUPAC name is N-(diethoxyphosphorylmethyl)-4-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-(diethoxyphosphorylmethyl)-4-iodo-N-methylbenzamide
PubChem CID2872148
Molecular FormulaC13H19INO4P
Molecular Weight411.18 g/mol
Exact Mass411.01
IUPAC NameN-(diethoxyphosphorylmethyl)-4-iodo-N-methylbenzamide
SMILESCCOP(=O)(CN(C)C(=O)c1ccc(I)cc1)OCC
InChIInChI=1S/C13H19INO4P/c1-4-18-20(17,19-5-2)10-15(3)13(16)11-6-8-12(14)9-7-11/h6-9H,4-5,10H2,1-3H3
InChIKeyJSDBIIJJLDXNEC-UHFFFAOYSA-N
XLogP3.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.18
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(4-iodobenzoyl)-methylamino]acetate
CID 43407349
4-iodo-N-methyl-N-pentylbenzamide
CID 61400602
3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea
CID 10781532
methyl N-(diethoxyphosphorylmethyl)-N-methylcarbamate
CID 12711206
4-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 47097429
N-(diethoxyphosphorylmethyl)-N-prop-2-enylbenzamide
CID 2173614
N-(cyanomethyl)-N-(diethoxyphosphorylmethyl)benzamide
CID 13292702
N-(1-hydroxypropan-2-yl)-4-iodo-N-methylbenzamide
CID 115765134
4-iodo-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63958933
N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide
CID 60628786
4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676165
4-iodo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 31749087

Frequently Asked Questions

What is the IUPAC name of N-(diethoxyphosphorylmethyl)-4-iodo-N-methylbenzamide?
The IUPAC name of N-(diethoxyphosphorylmethyl)-4-iodo-N-methylbenzamide (CID 2872148) is N-(diethoxyphosphorylmethyl)-4-iodo-N-methylbenzamide.
What is the SMILES notation for N-(diethoxyphosphorylmethyl)-4-iodo-N-methylbenzamide?
The canonical SMILES for N-(diethoxyphosphorylmethyl)-4-iodo-N-methylbenzamide is CCOP(=O)(CN(C)C(=O)c1ccc(I)cc1)OCC.
What is the InChIKey of N-(diethoxyphosphorylmethyl)-4-iodo-N-methylbenzamide?
The InChIKey is JSDBIIJJLDXNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19INO4P/c1-4-18-20(17,19-5-2)10-15(3)13(16)11-6-8-12(14)9-7-11/h6-9H,4-5,10H2,1-3H3.
What are the key properties of N-(diethoxyphosphorylmethyl)-4-iodo-N-methylbenzamide?
N-(diethoxyphosphorylmethyl)-4-iodo-N-methylbenzamide has a molecular weight of 411.18 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethoxyphosphorylmethyl)-4-iodo-N-methylbenzamide is sourced from PubChem (CID 2872148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).