N-(2,2-dichloro-1-diethoxyphosphorylethenyl)-2-phenylacetamide

C14H18Cl2NO4P — CID 7090611

IUPACN-(2,2-dichloro-1-diethoxyphosphorylethenyl)-2-phenylacetamide
SMILESCCOP(=O)(OCC)C(NC(=O)Cc1ccccc1)=C(Cl)Cl
InChIInChI=1S/C14H18Cl2NO4P/c1-3-20-22(19,21-4-2)14(13(15)16)17-12(18)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,17,18)
InChIKeyDQJFIOKHOMPAMO-UHFFFAOYSA-N
MW366.18 g/mol
LogP4.22
Rot. Bonds8

About N-(2,2-dichloro-1-diethoxyphosphorylethenyl)-2-phenylacetamide

N-(2,2-dichloro-1-diethoxyphosphorylethenyl)-2-phenylacetamide (PubChem CID 7090611) has the molecular formula C14H18Cl2NO4P and a molecular weight of 366.18 g/mol. Its IUPAC name is N-(2,2-dichloro-1-diethoxyphosphorylethenyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2,2-dichloro-1-diethoxyphosphorylethenyl)-2-phenylacetamide
PubChem CID7090611
Molecular FormulaC14H18Cl2NO4P
Molecular Weight366.18 g/mol
Exact Mass365.04
IUPAC NameN-(2,2-dichloro-1-diethoxyphosphorylethenyl)-2-phenylacetamide
SMILESCCOP(=O)(OCC)C(NC(=O)Cc1ccccc1)=C(Cl)Cl
InChIInChI=1S/C14H18Cl2NO4P/c1-3-20-22(19,21-4-2)14(13(15)16)17-12(18)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,17,18)
InChIKeyDQJFIOKHOMPAMO-UHFFFAOYSA-N
XLogP4.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.18
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2,2-dichloro-1-[ethoxy(phenyl)phosphoryl]ethenyl]benzamide
CID 2305792
ethyl (E)-3-diethoxyphosphoryl-4-phenylbut-2-enoate
CID 13288536
(E)-N-[2,2-dichloro-1-[ethoxy(phenyl)phosphoryl]ethenyl]-3-phenylprop-2-enamide
CID 11864836
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-methoxyacetate
CID 2416190
ethyl 2-phenylacetate
CID 7590
ethyl 2-phenylacetate;hydrate
CID 141257001
ethoxy-(4-methyl-1-phenylpenta-2,3-dien-2-yl)phosphinic acid
CID 25215352
1-diethoxyphosphoryl-3-phenylpropan-1-ol
CID 12930490
CID 172801156
CID 172801156
[chloro(ethoxy)phosphoryl]methylbenzene
CID 12634157
ethane;N-ethyl-2-phenylacetamide;molecular hydrogen
CID 167457544
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide
CID 108540002

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dichloro-1-diethoxyphosphorylethenyl)-2-phenylacetamide?
The IUPAC name of N-(2,2-dichloro-1-diethoxyphosphorylethenyl)-2-phenylacetamide (CID 7090611) is N-(2,2-dichloro-1-diethoxyphosphorylethenyl)-2-phenylacetamide.
What is the SMILES notation for N-(2,2-dichloro-1-diethoxyphosphorylethenyl)-2-phenylacetamide?
The canonical SMILES for N-(2,2-dichloro-1-diethoxyphosphorylethenyl)-2-phenylacetamide is CCOP(=O)(OCC)C(NC(=O)Cc1ccccc1)=C(Cl)Cl.
What is the InChIKey of N-(2,2-dichloro-1-diethoxyphosphorylethenyl)-2-phenylacetamide?
The InChIKey is DQJFIOKHOMPAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2NO4P/c1-3-20-22(19,21-4-2)14(13(15)16)17-12(18)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,17,18).
What are the key properties of N-(2,2-dichloro-1-diethoxyphosphorylethenyl)-2-phenylacetamide?
N-(2,2-dichloro-1-diethoxyphosphorylethenyl)-2-phenylacetamide has a molecular weight of 366.18 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dichloro-1-diethoxyphosphorylethenyl)-2-phenylacetamide is sourced from PubChem (CID 7090611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).