N-methyl-2-(2,4,5-trichloroanilino)propanamide

C10H11Cl3N2O — CID 43116604

IUPACN-methyl-2-(2,4,5-trichloroanilino)propanamide
SMILESCNC(=O)C(C)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H11Cl3N2O/c1-5(10(16)14-2)15-9-4-7(12)6(11)3-8(9)13/h3-5,15H,1-2H3,(H,14,16)
InChIKeyFRBUWAXSEJCVLW-UHFFFAOYSA-N
MW281.57 g/mol
LogP3.19
Rot. Bonds3

About N-methyl-2-(2,4,5-trichloroanilino)propanamide

N-methyl-2-(2,4,5-trichloroanilino)propanamide (PubChem CID 43116604) has the molecular formula C10H11Cl3N2O and a molecular weight of 281.57 g/mol. Its IUPAC name is N-methyl-2-(2,4,5-trichloroanilino)propanamide.

Molecular Properties

Compound NameN-methyl-2-(2,4,5-trichloroanilino)propanamide
PubChem CID43116604
Molecular FormulaC10H11Cl3N2O
Molecular Weight281.57 g/mol
Exact Mass279.99
IUPAC NameN-methyl-2-(2,4,5-trichloroanilino)propanamide
SMILESCNC(=O)C(C)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C10H11Cl3N2O/c1-5(10(16)14-2)15-9-4-7(12)6(11)3-8(9)13/h3-5,15H,1-2H3,(H,14,16)
InChIKeyFRBUWAXSEJCVLW-UHFFFAOYSA-N
XLogP3.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.57
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichloroanilino)-N-methylpropanamide
CID 18321698
2-(2-chloro-4-methylanilino)-N-methylpropanamide
CID 43085457
2-(2-chloro-5-fluoroanilino)-N-methylpropanamide
CID 107528161
2-(5-chloro-2,4-dimethoxyanilino)-N-methylpropanamide
CID 43085511
2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide
CID 60638641
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-methylpropanamide
CID 102756840
(2S)-2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 794436
2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 2841118
N-tert-butyl-2-(2,5-dichloro-4-methylanilino)propanamide
CID 104726706
2-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-methylpropanamide
CID 102756838
2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide
CID 43084686
4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 55190178

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,4,5-trichloroanilino)propanamide?
The IUPAC name of N-methyl-2-(2,4,5-trichloroanilino)propanamide (CID 43116604) is N-methyl-2-(2,4,5-trichloroanilino)propanamide.
What is the SMILES notation for N-methyl-2-(2,4,5-trichloroanilino)propanamide?
The canonical SMILES for N-methyl-2-(2,4,5-trichloroanilino)propanamide is CNC(=O)C(C)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-methyl-2-(2,4,5-trichloroanilino)propanamide?
The InChIKey is FRBUWAXSEJCVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3N2O/c1-5(10(16)14-2)15-9-4-7(12)6(11)3-8(9)13/h3-5,15H,1-2H3,(H,14,16).
What are the key properties of N-methyl-2-(2,4,5-trichloroanilino)propanamide?
N-methyl-2-(2,4,5-trichloroanilino)propanamide has a molecular weight of 281.57 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,4,5-trichloroanilino)propanamide is sourced from PubChem (CID 43116604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).