3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide

C15H10ClF3N2O2 — CID 2113466

IUPAC3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H10ClF3N2O2/c16-9-3-1-2-8(6-9)15(23)20-7-12(22)21-11-5-4-10(17)13(18)14(11)19/h1-6H,7H2,(H,20,23)(H,21,22)
InChIKeyRDIXQUPKLAIBAS-UHFFFAOYSA-N
MW342.70 g/mol
LogP3.13
Rot. Bonds4

About 3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide

3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide (PubChem CID 2113466) has the molecular formula C15H10ClF3N2O2 and a molecular weight of 342.70 g/mol. Its IUPAC name is 3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
PubChem CID2113466
Molecular FormulaC15H10ClF3N2O2
Molecular Weight342.70 g/mol
Exact Mass342.04
IUPAC Name3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H10ClF3N2O2/c16-9-3-1-2-8(6-9)15(23)20-7-12(22)21-11-5-4-10(17)13(18)14(11)19/h1-6H,7H2,(H,20,23)(H,21,22)
InChIKeyRDIXQUPKLAIBAS-UHFFFAOYSA-N
XLogP3.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.70
LogP ≤ 53.13
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

3-methylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27812742
1-(3-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazole-4-carboxamide
CID 55874321
N-[2-(2,4-dichloroanilino)-2-oxoethyl]-3-fluorobenzamide
CID 113001247
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide
CID 113001009
2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7601440
N-[2-(2,3-difluoroanilino)-2-oxoethyl]benzamide
CID 155977265
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-3-methylbenzamide
CID 26666234
3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 43009760
N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide
CID 55648350
3-chloro-N-[2-[2-[(2-fluorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]benzamide
CID 9468642
4-[(4-chlorophenyl)sulfanylmethyl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 27812929
3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 772080

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide (CID 2113466) is 3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide is O=C(CNC(=O)c1cccc(Cl)c1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The InChIKey is RDIXQUPKLAIBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O2/c16-9-3-1-2-8(6-9)15(23)20-7-12(22)21-11-5-4-10(17)13(18)14(11)19/h1-6H,7H2,(H,20,23)(H,21,22).
What are the key properties of 3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide has a molecular weight of 342.70 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide is sourced from PubChem (CID 2113466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).