N-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide

C13H13ClF3N3O3 — CID 108515875

IUPACN-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
SMILESCC(=O)NCCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H13ClF3N3O3/c1-7(21)18-4-5-19-11(22)12(23)20-8-2-3-10(14)9(6-8)13(15,16)17/h2-3,6H,4-5H2,1H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyVQQPSRGOQMVVBW-UHFFFAOYSA-N
MW351.71 g/mol
LogP1.55
Rot. Bonds4

About N-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide

N-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide (PubChem CID 108515875) has the molecular formula C13H13ClF3N3O3 and a molecular weight of 351.71 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
PubChem CID108515875
Molecular FormulaC13H13ClF3N3O3
Molecular Weight351.71 g/mol
Exact Mass351.06
IUPAC NameN-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
SMILESCC(=O)NCCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H13ClF3N3O3/c1-7(21)18-4-5-19-11(22)12(23)20-8-2-3-10(14)9(6-8)13(15,16)17/h2-3,6H,4-5H2,1H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyVQQPSRGOQMVVBW-UHFFFAOYSA-N
XLogP1.55
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.71
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide
CID 108515808
N-(3-butoxypropyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108506520
2-acetamido-N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]acetamide
CID 60559581
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
N'-acetyl-N'-(2-aminoethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515874
N'-[(E)-(4-acetamidophenyl)methylideneamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 25251109
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 6-acetamidohexanoate
CID 55999875
N'-(4-chloro-2-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515804
N-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide
CID 110893263
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(2-fluorophenyl)oxamide
CID 108515782

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide (CID 108515875) is N-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide is CC(=O)NCCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is VQQPSRGOQMVVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3O3/c1-7(21)18-4-5-19-11(22)12(23)20-8-2-3-10(14)9(6-8)13(15,16)17/h2-3,6H,4-5H2,1H3,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of N-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide?
N-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 351.71 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 108515875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).