N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[4-(trifluoromethyl)anilino]acetamide

C17H13F6N3O2 — CID 46633419

IUPACN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[4-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1ccc(C(F)(F)F)cc1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H13F6N3O2/c18-11-5-6-12(16(20)15(11)19)26-14(28)8-25-13(27)7-24-10-3-1-9(2-4-10)17(21,22)23/h1-6,24H,7-8H2,(H,25,27)(H,26,28)
InChIKeyNWJXMPXRMKOFHE-UHFFFAOYSA-N
MW405.30 g/mol
LogP3.29
Rot. Bonds6

About N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[4-(trifluoromethyl)anilino]acetamide

N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[4-(trifluoromethyl)anilino]acetamide (PubChem CID 46633419) has the molecular formula C17H13F6N3O2 and a molecular weight of 405.30 g/mol. Its IUPAC name is N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[4-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[4-(trifluoromethyl)anilino]acetamide
PubChem CID46633419
Molecular FormulaC17H13F6N3O2
Molecular Weight405.30 g/mol
Exact Mass405.09
IUPAC NameN-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[4-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1ccc(C(F)(F)F)cc1)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H13F6N3O2/c18-11-5-6-12(16(20)15(11)19)26-14(28)8-25-13(27)7-24-10-3-1-9(2-4-10)17(21,22)23/h1-6,24H,7-8H2,(H,25,27)(H,26,28)
InChIKeyNWJXMPXRMKOFHE-UHFFFAOYSA-N
XLogP3.29
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 26437919
methyl 4-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]benzoate
CID 109010186
2-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 46494014
2-(4-methoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 39447577
2-[[2-[3,5-bis(trifluoromethyl)phenoxy]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 4839539
2-(3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 109011156
2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 9461038
methyl 4-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 9083088
2-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 41474710
2-(4-bromoanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7492486
3,3-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide
CID 60565839
2-[[2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 16514536

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[4-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[4-(trifluoromethyl)anilino]acetamide (CID 46633419) is N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[4-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[4-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[4-(trifluoromethyl)anilino]acetamide is O=C(CNc1ccc(C(F)(F)F)cc1)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[4-(trifluoromethyl)anilino]acetamide?
The InChIKey is NWJXMPXRMKOFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6N3O2/c18-11-5-6-12(16(20)15(11)19)26-14(28)8-25-13(27)7-24-10-3-1-9(2-4-10)17(21,22)23/h1-6,24H,7-8H2,(H,25,27)(H,26,28).
What are the key properties of N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[4-(trifluoromethyl)anilino]acetamide?
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[4-(trifluoromethyl)anilino]acetamide has a molecular weight of 405.30 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-[4-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 46633419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).