N'-(3,5-dichlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide

C16H10Cl2F3N3O3 — CID 47043076

IUPACN'-(3,5-dichlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide
SMILESO=C(CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H10Cl2F3N3O3/c17-7-3-8(18)5-9(4-7)23-16(27)15(26)22-6-12(25)24-11-2-1-10(19)13(20)14(11)21/h1-5H,6H2,(H,22,26)(H,23,27)(H,24,25)
InChIKeyKIHQHDMSDUUZHF-UHFFFAOYSA-N
MW420.17 g/mol
LogP3.10
Rot. Bonds4

About N'-(3,5-dichlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide

N'-(3,5-dichlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide (PubChem CID 47043076) has the molecular formula C16H10Cl2F3N3O3 and a molecular weight of 420.17 g/mol. Its IUPAC name is N'-(3,5-dichlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide.

Molecular Properties

Compound NameN'-(3,5-dichlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide
PubChem CID47043076
Molecular FormulaC16H10Cl2F3N3O3
Molecular Weight420.17 g/mol
Exact Mass419.01
IUPAC NameN'-(3,5-dichlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide
SMILESO=C(CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H10Cl2F3N3O3/c17-7-3-8(18)5-9(4-7)23-16(27)15(26)22-6-12(25)24-11-2-1-10(19)13(20)14(11)21/h1-5H,6H2,(H,22,26)(H,23,27)(H,24,25)
InChIKeyKIHQHDMSDUUZHF-UHFFFAOYSA-N
XLogP3.10
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.17
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2,4-difluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide
CID 86995752
N-(3-chlorophenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108516579
3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2113466
[2-(3,5-dichloroanilino)-2-oxoethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylazanium
CID 2698567
2-(3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 109011156
N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108524160
2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7601440
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2527865
2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 24615172
N'-(3,5-dichlorophenyl)-N-(2-fluorophenyl)oxamide
CID 108520851
2-[(N'-methylcarbamimidoyl)amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 110913519
2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride
CID 119268558

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide?
The IUPAC name of N'-(3,5-dichlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide (CID 47043076) is N'-(3,5-dichlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide.
What is the SMILES notation for N'-(3,5-dichlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide?
The canonical SMILES for N'-(3,5-dichlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide is O=C(CNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N'-(3,5-dichlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide?
The InChIKey is KIHQHDMSDUUZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2F3N3O3/c17-7-3-8(18)5-9(4-7)23-16(27)15(26)22-6-12(25)24-11-2-1-10(19)13(20)14(11)21/h1-5H,6H2,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of N'-(3,5-dichlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide?
N'-(3,5-dichlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide has a molecular weight of 420.17 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]oxamide is sourced from PubChem (CID 47043076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).