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

C12H15Cl3NO4P — CID 7032006

IUPAC4-methyl-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide
SMILESCOP(=O)(OC)[C@@H](NC(=O)c1ccc(C)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C12H15Cl3NO4P/c1-8-4-6-9(7-5-8)10(17)16-11(12(13,14)15)21(18,19-2)20-3/h4-7,11H,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyMUMOZFQUBDLAMR-LLVKDONJSA-N
MW374.59 g/mol
LogP3.91
Rot. Bonds5

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

4-methyl-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide (PubChem CID 7032006) has the molecular formula C12H15Cl3NO4P and a molecular weight of 374.59 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide
PubChem CID7032006
Molecular FormulaC12H15Cl3NO4P
Molecular Weight374.59 g/mol
Exact Mass372.98
IUPAC Name4-methyl-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide
SMILESCOP(=O)(OC)[C@@H](NC(=O)c1ccc(C)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C12H15Cl3NO4P/c1-8-4-6-9(7-5-8)10(17)16-11(12(13,14)15)21(18,19-2)20-3/h4-7,11H,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyMUMOZFQUBDLAMR-LLVKDONJSA-N
XLogP3.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.59
LogP ≤ 53.91
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-chloro-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide
CID 34255344
4-chloro-N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)benzamide
CID 2830396
methyl-[(1S)-2,2,2-trichloro-1-[(4-methylbenzoyl)amino]ethyl]azanium
CID 7452073
4-methyl-N-[(1R)-2,2,2-trichloro-1-(dimethylamino)ethyl]benzamide
CID 904082
3-methoxypropyl-[(1R)-2,2,2-trichloro-1-[(4-methylbenzoyl)amino]ethyl]azanium
CID 2131106
N-[(1R)-1-(tert-butylamino)-2,2,2-trichloroethyl]-4-methylbenzamide
CID 92846944
(Z)-3-phenyl-N-(2,2,2-trichloro-1-dimethoxyphosphorylethyl)prop-2-enamide
CID 21177407
3-phenyl-N-(2,2,2-trichloro-1-dimethoxyphosphorylethyl)prop-2-enamide
CID 5049982
propan-2-yl-[(1S)-2,2,2-trichloro-1-[(4-methylbenzoyl)amino]ethyl]azanium
CID 6947071
4-methyl-N-[2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide
CID 2872694
4-methyl-N-[(1R)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide
CID 2131109
N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide
CID 1115971

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide?
The IUPAC name of 4-methyl-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide (CID 7032006) is 4-methyl-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide?
The canonical SMILES for 4-methyl-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide is COP(=O)(OC)[C@@H](NC(=O)c1ccc(C)cc1)C(Cl)(Cl)Cl.
What is the InChIKey of 4-methyl-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide?
The InChIKey is MUMOZFQUBDLAMR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15Cl3NO4P/c1-8-4-6-9(7-5-8)10(17)16-11(12(13,14)15)21(18,19-2)20-3/h4-7,11H,1-3H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide?
4-methyl-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide has a molecular weight of 374.59 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-2,2,2-trichloro-1-dimethoxyphosphorylethyl]benzamide is sourced from PubChem (CID 7032006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).