4-chloro-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide

C11H12Cl4NO4P — CID 34255344

IUPAC4-chloro-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide
SMILESCOP(=O)(OC)[C@@H](NC(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C11H12Cl4NO4P/c1-19-21(18,20-2)10(11(13,14)15)16-9(17)7-3-5-8(12)6-4-7/h3-6,10H,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyFRZOXQYMIDRPRJ-SNVBAGLBSA-N
MW395.01 g/mol
LogP4.25
Rot. Bonds5

About 4-chloro-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide

4-chloro-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide (PubChem CID 34255344) has the molecular formula C11H12Cl4NO4P and a molecular weight of 395.01 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide
PubChem CID34255344
Molecular FormulaC11H12Cl4NO4P
Molecular Weight395.01 g/mol
Exact Mass392.93
IUPAC Name4-chloro-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide
SMILESCOP(=O)(OC)[C@@H](NC(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C11H12Cl4NO4P/c1-19-21(18,20-2)10(11(13,14)15)16-9(17)7-3-5-8(12)6-4-7/h3-6,10H,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyFRZOXQYMIDRPRJ-SNVBAGLBSA-N
XLogP4.25
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.01
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide
CID 7032006
4-chloro-N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)benzamide
CID 2830396
4-chloro-N-propan-2-ylbenzamide
CID 24045
N-[2-(4-chlorophenyl)-1-dimethoxyphosphorylethyl]benzamide
CID 100927094
(Z)-3-phenyl-N-(2,2,2-trichloro-1-dimethoxyphosphorylethyl)prop-2-enamide
CID 21177407
4-chloro-N-[2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide
CID 3103413
4-methoxy-N-[(1S)-2,2,2-trichloro-1-(4-chlorophenyl)sulfanylethyl]benzamide
CID 2252645
4-iodo-N-[2,2,2-trichloro-1-(4-chlorophenoxy)ethyl]benzamide
CID 5238898
4-chloro-N-(3-methylbutan-2-yl)benzamide
CID 4263927
2-[(4-chlorobenzoyl)amino]-3-methoxy-3-oxopropanoate
CID 71330930
dimethyl (2S)-2-[(4-chlorobenzoyl)amino]pentanedioate
CID 52694056
4-chloro-N-(1-hydroxy-3,3-dimethyl-2-oxobutyl)benzamide
CID 22761225

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide?
The IUPAC name of 4-chloro-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide (CID 34255344) is 4-chloro-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide is COP(=O)(OC)[C@@H](NC(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl.
What is the InChIKey of 4-chloro-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide?
The InChIKey is FRZOXQYMIDRPRJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12Cl4NO4P/c1-19-21(18,20-2)10(11(13,14)15)16-9(17)7-3-5-8(12)6-4-7/h3-6,10H,1-2H3,(H,16,17)/t10-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide?
4-chloro-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide has a molecular weight of 395.01 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide is sourced from PubChem (CID 34255344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).