N-methyl-2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]acetamide

C11H12Cl3N3O2 — CID 8771652

IUPACN-methyl-2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]acetamide
SMILESCNC(=O)CNCC(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl3N3O2/c1-15-10(18)4-16-5-11(19)17-9-3-7(13)6(12)2-8(9)14/h2-3,16H,4-5H2,1H3,(H,15,18)(H,17,19)
InChIKeyDNHDLQAQWOTBCD-UHFFFAOYSA-N
MW324.60 g/mol
LogP1.92
Rot. Bonds5

About N-methyl-2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]acetamide

N-methyl-2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]acetamide (PubChem CID 8771652) has the molecular formula C11H12Cl3N3O2 and a molecular weight of 324.60 g/mol. Its IUPAC name is N-methyl-2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]acetamide
PubChem CID8771652
Molecular FormulaC11H12Cl3N3O2
Molecular Weight324.60 g/mol
Exact Mass323.00
IUPAC NameN-methyl-2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]acetamide
SMILESCNC(=O)CNCC(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H12Cl3N3O2/c1-15-10(18)4-16-5-11(19)17-9-3-7(13)6(12)2-8(9)14/h2-3,16H,4-5H2,1H3,(H,15,18)(H,17,19)
InChIKeyDNHDLQAQWOTBCD-UHFFFAOYSA-N
XLogP1.92
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.60
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]propanoic acid
CID 83194030
N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)acetamide
CID 104727030
4-methyl-3-oxo-N-(2,4,5-trichlorophenyl)pentanamide
CID 121015861
2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide
CID 54831443
(2S,3S)-3-methyl-2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]pentanoic acid
CID 122099830
2-(methylamino)-N-(2,4,5-trichlorophenyl)propanamide
CID 60638641
2-(1-hydroxypropan-2-ylsulfanyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 113244525
2-(cyclohexylamino)-N-(2,4,5-trichlorophenyl)acetamide
CID 54815310
2-cyclopentylsulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 7825724
N-[2-methyl-3-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]propanamide
CID 54844752
2-methyl-N-[4-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]propanamide
CID 54830533
2-[methyl-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]acetic acid
CID 43442478

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]acetamide?
The IUPAC name of N-methyl-2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]acetamide (CID 8771652) is N-methyl-2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]acetamide?
The canonical SMILES for N-methyl-2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]acetamide is CNC(=O)CNCC(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-methyl-2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]acetamide?
The InChIKey is DNHDLQAQWOTBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3N3O2/c1-15-10(18)4-16-5-11(19)17-9-3-7(13)6(12)2-8(9)14/h2-3,16H,4-5H2,1H3,(H,15,18)(H,17,19).
What are the key properties of N-methyl-2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]acetamide?
N-methyl-2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]acetamide has a molecular weight of 324.60 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]acetamide is sourced from PubChem (CID 8771652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).