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

C12H14Cl4N2O — CID 3092639

IUPAC2-methyl-N-[2,2,2-trichloro-1-(2-chloroanilino)ethyl]propanamide
SMILESCC(C)C(=O)NC(Nc1ccccc1Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C12H14Cl4N2O/c1-7(2)10(19)18-11(12(14,15)16)17-9-6-4-3-5-8(9)13/h3-7,11,17H,1-2H3,(H,18,19)
InChIKeySVGDURXFSSYDHC-UHFFFAOYSA-N
MW344.07 g/mol
LogP4.22
Rot. Bonds4

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

2-methyl-N-[2,2,2-trichloro-1-(2-chloroanilino)ethyl]propanamide (PubChem CID 3092639) has the molecular formula C12H14Cl4N2O and a molecular weight of 344.07 g/mol. Its IUPAC name is 2-methyl-N-[2,2,2-trichloro-1-(2-chloroanilino)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2,2,2-trichloro-1-(2-chloroanilino)ethyl]propanamide
PubChem CID3092639
Molecular FormulaC12H14Cl4N2O
Molecular Weight344.07 g/mol
Exact Mass341.99
IUPAC Name2-methyl-N-[2,2,2-trichloro-1-(2-chloroanilino)ethyl]propanamide
SMILESCC(C)C(=O)NC(Nc1ccccc1Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C12H14Cl4N2O/c1-7(2)10(19)18-11(12(14,15)16)17-9-6-4-3-5-8(9)13/h3-7,11,17H,1-2H3,(H,18,19)
InChIKeySVGDURXFSSYDHC-UHFFFAOYSA-N
XLogP4.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.07
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-methyl-N-[(1R)-2,2,2-trichloro-1-(2-methoxyanilino)ethyl]propanamide
CID 770145
N-[2,2,2-trichloro-1-(2-chloroanilino)ethyl]hexanamide
CID 4123491
2-methyl-N-[2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]propanamide
CID 3092663
3-nitro-N-[2,2,2-trichloro-1-(2-chloroanilino)ethyl]benzamide
CID 3311482
2-methyl-N-[2,2,2-trichloro-1-(naphthalen-1-ylcarbamothioylamino)ethyl]propanamide
CID 3092625
2-(2-chloroanilino)-N-phenylpropanamide
CID 43083833
1-(2-chlorophenyl)-3-[(1S)-2,2,2-trichloro-1-hydroxyethyl]urea
CID 163171091
3-methyl-N-[2,2,2-trichloro-1-(2,6-dichloroanilino)ethyl]butanamide
CID 4581510
2-(2-chloroanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115570006
3,4-dichloro-N-[2,2,2-trichloro-1-(2,3-dichloroanilino)ethyl]benzamide
CID 134122688
4-amino-3-(2-chloroanilino)-N-propan-2-ylbutanamide
CID 66430780
3-methyl-N-[(1S)-2,2,2-trichloro-1-(2-iodoanilino)ethyl]butanamide
CID 2302487

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2,2,2-trichloro-1-(2-chloroanilino)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2,2,2-trichloro-1-(2-chloroanilino)ethyl]propanamide (CID 3092639) is 2-methyl-N-[2,2,2-trichloro-1-(2-chloroanilino)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2,2,2-trichloro-1-(2-chloroanilino)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2,2,2-trichloro-1-(2-chloroanilino)ethyl]propanamide is CC(C)C(=O)NC(Nc1ccccc1Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 2-methyl-N-[2,2,2-trichloro-1-(2-chloroanilino)ethyl]propanamide?
The InChIKey is SVGDURXFSSYDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl4N2O/c1-7(2)10(19)18-11(12(14,15)16)17-9-6-4-3-5-8(9)13/h3-7,11,17H,1-2H3,(H,18,19).
What are the key properties of 2-methyl-N-[2,2,2-trichloro-1-(2-chloroanilino)ethyl]propanamide?
2-methyl-N-[2,2,2-trichloro-1-(2-chloroanilino)ethyl]propanamide has a molecular weight of 344.07 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2,2,2-trichloro-1-(2-chloroanilino)ethyl]propanamide is sourced from PubChem (CID 3092639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).