N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide

C15H9F5N2O2 — CID 113002351

IUPACN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)c(F)c1F)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H9F5N2O2/c16-9-3-1-7(5-11(9)18)22-12(23)6-21-15(24)8-2-4-10(17)14(20)13(8)19/h1-5H,6H2,(H,21,24)(H,22,23)
InChIKeyJSHQTMFXIAKFEL-UHFFFAOYSA-N
MW344.24 g/mol
LogP2.75
Rot. Bonds4

About N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide (PubChem CID 113002351) has the molecular formula C15H9F5N2O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
PubChem CID113002351
Molecular FormulaC15H9F5N2O2
Molecular Weight344.24 g/mol
Exact Mass344.06
IUPAC NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
SMILESO=C(CNC(=O)c1ccc(F)c(F)c1F)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H9F5N2O2/c16-9-3-1-7(5-11(9)18)22-12(23)6-21-15(24)8-2-4-10(17)14(20)13(8)19/h1-5H,6H2,(H,21,24)(H,22,23)
InChIKeyJSHQTMFXIAKFEL-UHFFFAOYSA-N
XLogP2.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide
CID 112997585
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
4-bromo-N-[2-(3,4-difluoroanilino)-2-oxoethyl]benzamide
CID 7930162
methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 27772966
N,N'-bis(3,4-difluorophenyl)propanediamide
CID 108956967
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 113002353
N-(3,4-difluorophenyl)-2-(phenylcarbamoylamino)acetamide
CID 17451179
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-ethoxypyridine-3-carboxamide
CID 7930200
5-bromo-N-[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 26560592

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide (CID 113002351) is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide is O=C(CNC(=O)c1ccc(F)c(F)c1F)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide?
The InChIKey is JSHQTMFXIAKFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F5N2O2/c16-9-3-1-7(5-11(9)18)22-12(23)6-21-15(24)8-2-4-10(17)14(20)13(8)19/h1-5H,6H2,(H,21,24)(H,22,23).
What are the key properties of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide?
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide has a molecular weight of 344.24 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 113002351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).