N-[2-(4-chlorophenyl)-1-dimethoxyphosphorylethyl]benzamide

C17H19ClNO4P — CID 100927094

IUPACN-[2-(4-chlorophenyl)-1-dimethoxyphosphorylethyl]benzamide
SMILESCOP(=O)(OC)C(Cc1ccc(Cl)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H19ClNO4P/c1-22-24(21,23-2)16(12-13-8-10-15(18)11-9-13)19-17(20)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H,19,20)
InChIKeyYVWMTWPFAYITRM-UHFFFAOYSA-N
MW367.77 g/mol
LogP4.12
Rot. Bonds7

About N-[2-(4-chlorophenyl)-1-dimethoxyphosphorylethyl]benzamide

N-[2-(4-chlorophenyl)-1-dimethoxyphosphorylethyl]benzamide (PubChem CID 100927094) has the molecular formula C17H19ClNO4P and a molecular weight of 367.77 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-dimethoxyphosphorylethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-dimethoxyphosphorylethyl]benzamide
PubChem CID100927094
Molecular FormulaC17H19ClNO4P
Molecular Weight367.77 g/mol
Exact Mass367.07
IUPAC NameN-[2-(4-chlorophenyl)-1-dimethoxyphosphorylethyl]benzamide
SMILESCOP(=O)(OC)C(Cc1ccc(Cl)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H19ClNO4P/c1-22-24(21,23-2)16(12-13-8-10-15(18)11-9-13)19-17(20)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H,19,20)
InChIKeyYVWMTWPFAYITRM-UHFFFAOYSA-N
XLogP4.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.77
LogP ≤ 54.12
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

N-[1-dimethoxyphosphoryl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 100927098
N-[1-dimethoxyphosphoryl-2-(4-nitrophenyl)ethyl]benzamide
CID 85367009
N-[(1S)-1-[methoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide
CID 10915868
4-chloro-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide
CID 34255344
1-[2,2-bis(dimethoxyphosphoryl)ethyl]-4-chlorobenzene
CID 10193691
N-[(1S)-1-[ethoxy(phenyl)phosphoryl]-2-phenylethyl]benzamide
CID 11784176
N-[(3R)-3,4-bis(4-chlorophenyl)butan-2-yl]-4-phenylbenzamide
CID 142818762
N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17459300
N-[1-[ethoxy(phenyl)phosphoryl]-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 15882211
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
N-[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 18774967
phenacyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate
CID 40796590

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-dimethoxyphosphorylethyl]benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1-dimethoxyphosphorylethyl]benzamide (CID 100927094) is N-[2-(4-chlorophenyl)-1-dimethoxyphosphorylethyl]benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-dimethoxyphosphorylethyl]benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-dimethoxyphosphorylethyl]benzamide is COP(=O)(OC)C(Cc1ccc(Cl)cc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-dimethoxyphosphorylethyl]benzamide?
The InChIKey is YVWMTWPFAYITRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClNO4P/c1-22-24(21,23-2)16(12-13-8-10-15(18)11-9-13)19-17(20)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(4-chlorophenyl)-1-dimethoxyphosphorylethyl]benzamide?
N-[2-(4-chlorophenyl)-1-dimethoxyphosphorylethyl]benzamide has a molecular weight of 367.77 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-dimethoxyphosphorylethyl]benzamide is sourced from PubChem (CID 100927094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).