N-[3-(3,4-dichlorophenyl)-3-dimethylphosphorylpropyl]-N-phenylmethoxyacetamide

C20H24Cl2NO3P — CID 174340138

IUPACN-[3-(3,4-dichlorophenyl)-3-dimethylphosphorylpropyl]-N-phenylmethoxyacetamide
SMILESCC(=O)N(CCC(c1ccc(Cl)c(Cl)c1)P(C)(C)=O)OCc1ccccc1
InChIInChI=1S/C20H24Cl2NO3P/c1-15(24)23(26-14-16-7-5-4-6-8-16)12-11-20(27(2,3)25)17-9-10-18(21)19(22)13-17/h4-10,13,20H,11-12,14H2,1-3H3
InChIKeyHXOIMNXAIHUWOV-UHFFFAOYSA-N
MW428.30 g/mol
LogP6.03
Rot. Bonds8

About N-[3-(3,4-dichlorophenyl)-3-dimethylphosphorylpropyl]-N-phenylmethoxyacetamide

N-[3-(3,4-dichlorophenyl)-3-dimethylphosphorylpropyl]-N-phenylmethoxyacetamide (PubChem CID 174340138) has the molecular formula C20H24Cl2NO3P and a molecular weight of 428.30 g/mol. Its IUPAC name is N-[3-(3,4-dichlorophenyl)-3-dimethylphosphorylpropyl]-N-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[3-(3,4-dichlorophenyl)-3-dimethylphosphorylpropyl]-N-phenylmethoxyacetamide
PubChem CID174340138
Molecular FormulaC20H24Cl2NO3P
Molecular Weight428.30 g/mol
Exact Mass427.09
IUPAC NameN-[3-(3,4-dichlorophenyl)-3-dimethylphosphorylpropyl]-N-phenylmethoxyacetamide
SMILESCC(=O)N(CCC(c1ccc(Cl)c(Cl)c1)P(C)(C)=O)OCc1ccccc1
InChIInChI=1S/C20H24Cl2NO3P/c1-15(24)23(26-14-16-7-5-4-6-8-16)12-11-20(27(2,3)25)17-9-10-18(21)19(22)13-17/h4-10,13,20H,11-12,14H2,1-3H3
InChIKeyHXOIMNXAIHUWOV-UHFFFAOYSA-N
XLogP6.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.30
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-diethoxyphosphoryl-3-thiophen-2-ylpropyl)-N-phenylmethoxyacetamide
CID 16664922
3-(3,4-dichlorophenyl)-N-methyl-N-phenylmethoxy-3-phosphanylpropan-1-amine
CID 166076955
3-[acetyl-[(3,4-dichlorophenyl)methoxy]amino]propyl-ethoxyphosphinic acid
CID 71486992
3-[acetyl(phenylmethoxy)amino]propanoic acid
CID 10060062
N-[3-bis(phenylmethoxy)phosphoryl-3-(triazol-1-yl)propyl]-N-phenylmethoxyacetamide
CID 71546039
N-(3-oxopropyl)-N-phenylmethoxyacetamide
CID 71545702
[1-(3,4-dichlorophenyl)-3-phenylmethoxyiminopropyl]phosphonic acid
CID 154512121
[[acetyl(phenylmethoxy)amino]-phenylmethyl]-methylphosphinic acid
CID 15719300
[3-[(3-acetyloxybenzoyl)-hydroxyamino]-1-(3,4-dichlorophenyl)propyl]phosphonic acid
CID 71818539
N-hydroxy-N-phenylmethoxyacetamide
CID 173249339
[1-(3,4-dichlorophenyl)-3-[formyl(hydroxy)amino]propyl]phosphonic acid
CID 15949469
N-phenylmethoxyacetohydrazide
CID 174450270

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dichlorophenyl)-3-dimethylphosphorylpropyl]-N-phenylmethoxyacetamide?
The IUPAC name of N-[3-(3,4-dichlorophenyl)-3-dimethylphosphorylpropyl]-N-phenylmethoxyacetamide (CID 174340138) is N-[3-(3,4-dichlorophenyl)-3-dimethylphosphorylpropyl]-N-phenylmethoxyacetamide.
What is the SMILES notation for N-[3-(3,4-dichlorophenyl)-3-dimethylphosphorylpropyl]-N-phenylmethoxyacetamide?
The canonical SMILES for N-[3-(3,4-dichlorophenyl)-3-dimethylphosphorylpropyl]-N-phenylmethoxyacetamide is CC(=O)N(CCC(c1ccc(Cl)c(Cl)c1)P(C)(C)=O)OCc1ccccc1.
What is the InChIKey of N-[3-(3,4-dichlorophenyl)-3-dimethylphosphorylpropyl]-N-phenylmethoxyacetamide?
The InChIKey is HXOIMNXAIHUWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2NO3P/c1-15(24)23(26-14-16-7-5-4-6-8-16)12-11-20(27(2,3)25)17-9-10-18(21)19(22)13-17/h4-10,13,20H,11-12,14H2,1-3H3.
What are the key properties of N-[3-(3,4-dichlorophenyl)-3-dimethylphosphorylpropyl]-N-phenylmethoxyacetamide?
N-[3-(3,4-dichlorophenyl)-3-dimethylphosphorylpropyl]-N-phenylmethoxyacetamide has a molecular weight of 428.30 g/mol, XLogP of 6.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dichlorophenyl)-3-dimethylphosphorylpropyl]-N-phenylmethoxyacetamide is sourced from PubChem (CID 174340138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).