2-(2,4,5-trichloroanilino)butanamide

C10H11Cl3N2O — CID 62901359

IUPAC2-(2,4,5-trichloroanilino)butanamide
SMILESCCC(Nc1cc(Cl)c(Cl)cc1Cl)C(N)=O
InChIInChI=1S/C10H11Cl3N2O/c1-2-8(10(14)16)15-9-4-6(12)5(11)3-7(9)13/h3-4,8,15H,2H2,1H3,(H2,14,16)
InChIKeyFOVQEZMPYQNDPO-UHFFFAOYSA-N
MW281.57 g/mol
LogP3.32
Rot. Bonds4

About 2-(2,4,5-trichloroanilino)butanamide

2-(2,4,5-trichloroanilino)butanamide (PubChem CID 62901359) has the molecular formula C10H11Cl3N2O and a molecular weight of 281.57 g/mol. Its IUPAC name is 2-(2,4,5-trichloroanilino)butanamide.

Molecular Properties

Compound Name2-(2,4,5-trichloroanilino)butanamide
PubChem CID62901359
Molecular FormulaC10H11Cl3N2O
Molecular Weight281.57 g/mol
Exact Mass279.99
IUPAC Name2-(2,4,5-trichloroanilino)butanamide
SMILESCCC(Nc1cc(Cl)c(Cl)cc1Cl)C(N)=O
InChIInChI=1S/C10H11Cl3N2O/c1-2-8(10(14)16)15-9-4-6(12)5(11)3-7(9)13/h3-4,8,15H,2H2,1H3,(H2,14,16)
InChIKeyFOVQEZMPYQNDPO-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.57
LogP ≤ 53.32
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-chloro-4-cyanoanilino)butanamide
CID 107807872
2-(4-chloro-2-iodoanilino)butanamide
CID 107635331
2-(4-chloro-2-methoxy-5-methylanilino)butanamide
CID 55133159
2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 2841118
(2S)-2-methyl-N-(2,4,5-trichlorophenyl)butanamide
CID 794436
ethyl 2-(2-chloro-4-methylanilino)butanoate
CID 64667154
2-(2-fluoroanilino)butanamide
CID 60995502
2-(4-bromo-2,5-difluoroanilino)butanamide
CID 107611163
2-(2,3-difluoroanilino)butanamide
CID 62900030
methyl 2-(4-bromo-2-chloroanilino)butanoate
CID 115352382
2-(4-fluoro-2-methoxyanilino)butanamide
CID 62900802
2-(5-methoxy-2-methylanilino)butanamide
CID 167770796

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trichloroanilino)butanamide?
The IUPAC name of 2-(2,4,5-trichloroanilino)butanamide (CID 62901359) is 2-(2,4,5-trichloroanilino)butanamide.
What is the SMILES notation for 2-(2,4,5-trichloroanilino)butanamide?
The canonical SMILES for 2-(2,4,5-trichloroanilino)butanamide is CCC(Nc1cc(Cl)c(Cl)cc1Cl)C(N)=O.
What is the InChIKey of 2-(2,4,5-trichloroanilino)butanamide?
The InChIKey is FOVQEZMPYQNDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl3N2O/c1-2-8(10(14)16)15-9-4-6(12)5(11)3-7(9)13/h3-4,8,15H,2H2,1H3,(H2,14,16).
What are the key properties of 2-(2,4,5-trichloroanilino)butanamide?
2-(2,4,5-trichloroanilino)butanamide has a molecular weight of 281.57 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trichloroanilino)butanamide is sourced from PubChem (CID 62901359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).