N-[2-methoxy-4-[(2,2,2-trichloroacetyl)amino]phenyl]-2-methylpropanamide

C13H15Cl3N2O3 — CID 1298914

IUPACN-[2-methoxy-4-[(2,2,2-trichloroacetyl)amino]phenyl]-2-methylpropanamide
SMILESCOc1cc(NC(=O)C(Cl)(Cl)Cl)ccc1NC(=O)C(C)C
InChIInChI=1S/C13H15Cl3N2O3/c1-7(2)11(19)18-9-5-4-8(6-10(9)21-3)17-12(20)13(14,15)16/h4-7H,1-3H3,(H,17,20)(H,18,19)
InChIKeySARDGEFVMOBULY-UHFFFAOYSA-N
MW353.63 g/mol
LogP3.60
Rot. Bonds4

About N-[2-methoxy-4-[(2,2,2-trichloroacetyl)amino]phenyl]-2-methylpropanamide

N-[2-methoxy-4-[(2,2,2-trichloroacetyl)amino]phenyl]-2-methylpropanamide (PubChem CID 1298914) has the molecular formula C13H15Cl3N2O3 and a molecular weight of 353.63 g/mol. Its IUPAC name is N-[2-methoxy-4-[(2,2,2-trichloroacetyl)amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[(2,2,2-trichloroacetyl)amino]phenyl]-2-methylpropanamide
PubChem CID1298914
Molecular FormulaC13H15Cl3N2O3
Molecular Weight353.63 g/mol
Exact Mass352.01
IUPAC NameN-[2-methoxy-4-[(2,2,2-trichloroacetyl)amino]phenyl]-2-methylpropanamide
SMILESCOc1cc(NC(=O)C(Cl)(Cl)Cl)ccc1NC(=O)C(C)C
InChIInChI=1S/C13H15Cl3N2O3/c1-7(2)11(19)18-9-5-4-8(6-10(9)21-3)17-12(20)13(14,15)16/h4-7H,1-3H3,(H,17,20)(H,18,19)
InChIKeySARDGEFVMOBULY-UHFFFAOYSA-N
XLogP3.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.63
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,2-diphenylpropanoylamino)-2-methoxyphenyl]-2-methylpropanamide
CID 1248582
N-[4-(carbamothioylamino)-2-methoxyphenyl]-2-methylpropanamide
CID 50882114
N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methyl-2-phenoxypropanamide
CID 30309174
3,4-dimethoxy-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide
CID 6459943
N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-2-methylbenzamide
CID 953068
2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide
CID 3499953
4-tert-butyl-N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 3775032
N-(4-acetamido-3-methoxyphenyl)-2-methoxypropanamide
CID 47308212
5-bromo-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]naphthalene-1-carboxamide
CID 2196432
4-cyano-2-fluoro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]benzamide
CID 2993174
4-chloro-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-3-nitrobenzamide
CID 3330979
2-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]-2-methylpropanamide
CID 119321312

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[(2,2,2-trichloroacetyl)amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[2-methoxy-4-[(2,2,2-trichloroacetyl)amino]phenyl]-2-methylpropanamide (CID 1298914) is N-[2-methoxy-4-[(2,2,2-trichloroacetyl)amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-methoxy-4-[(2,2,2-trichloroacetyl)amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[2-methoxy-4-[(2,2,2-trichloroacetyl)amino]phenyl]-2-methylpropanamide is COc1cc(NC(=O)C(Cl)(Cl)Cl)ccc1NC(=O)C(C)C.
What is the InChIKey of N-[2-methoxy-4-[(2,2,2-trichloroacetyl)amino]phenyl]-2-methylpropanamide?
The InChIKey is SARDGEFVMOBULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl3N2O3/c1-7(2)11(19)18-9-5-4-8(6-10(9)21-3)17-12(20)13(14,15)16/h4-7H,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-methoxy-4-[(2,2,2-trichloroacetyl)amino]phenyl]-2-methylpropanamide?
N-[2-methoxy-4-[(2,2,2-trichloroacetyl)amino]phenyl]-2-methylpropanamide has a molecular weight of 353.63 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[(2,2,2-trichloroacetyl)amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 1298914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).