2-methyl-N-[(1R)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]propanamide

C13H17Cl3N2O2 — CID 770145

IUPAC2-methyl-N-[(1R)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]propanamide
SMILESCOc1ccccc1N[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C13H17Cl3N2O2/c1-8(2)11(19)18-12(13(14,15)16)17-9-6-4-5-7-10(9)20-3/h4-8,12,17H,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyQOFPVZUAUKRVMX-GFCCVEGCSA-N
MW339.65 g/mol
LogP3.58
Rot. Bonds5

About 2-methyl-N-[(1R)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]propanamide

2-methyl-N-[(1R)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]propanamide (PubChem CID 770145) has the molecular formula C13H17Cl3N2O2 and a molecular weight of 339.65 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]propanamide
PubChem CID770145
Molecular FormulaC13H17Cl3N2O2
Molecular Weight339.65 g/mol
Exact Mass338.04
IUPAC Name2-methyl-N-[(1R)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]propanamide
SMILESCOc1ccccc1N[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C13H17Cl3N2O2/c1-8(2)11(19)18-12(13(14,15)16)17-9-6-4-5-7-10(9)20-3/h4-8,12,17H,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyQOFPVZUAUKRVMX-GFCCVEGCSA-N
XLogP3.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.65
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[(1S)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]butanamide
CID 2302469
2-methyl-N-[2,2,2-trichloro-1-(2-chloroanilino)ethyl]propanamide
CID 3092639
N-[(1S)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]pyridine-2-carboxamide
CID 1106851
N-[2,2,2-trichloro-1-(2-methoxyanilino)ethyl]pentadecanamide
CID 4533011
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
3-methoxy-2-(2-methoxyanilino)butanoic acid
CID 112518310
(2S)-2-(2-methoxyanilino)-3-methylbutanoic acid
CID 15383895
(2R)-2-(2-methoxyanilino)-N-phenylpropanamide
CID 41042195
2-hydroxy-3-(2-methoxyanilino)-N-(2-methoxyphenyl)butanamide
CID 134349346
(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 35922425
(2R)-N-(tert-butylcarbamoyl)-2-(2-methoxyanilino)propanamide
CID 35922476

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[(1R)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]propanamide (CID 770145) is 2-methyl-N-[(1R)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(1R)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[(1R)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]propanamide is COc1ccccc1N[C@H](NC(=O)C(C)C)C(Cl)(Cl)Cl.
What is the InChIKey of 2-methyl-N-[(1R)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]propanamide?
The InChIKey is QOFPVZUAUKRVMX-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17Cl3N2O2/c1-8(2)11(19)18-12(13(14,15)16)17-9-6-4-5-7-10(9)20-3/h4-8,12,17H,1-3H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]propanamide?
2-methyl-N-[(1R)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]propanamide has a molecular weight of 339.65 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]propanamide is sourced from PubChem (CID 770145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).