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

C22H14BrF3N2O3 — CID 55533610

IUPAC2-(4-bromobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C22H14BrF3N2O3/c23-13-7-5-12(6-8-13)21(30)14-3-1-2-4-15(14)22(31)27-11-18(29)28-17-10-9-16(24)19(25)20(17)26/h1-10H,11H2,(H,27,31)(H,28,29)
InChIKeyQFTLONVXDHPGDX-UHFFFAOYSA-N
MW491.26 g/mol
LogP4.47
Rot. Bonds6

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

2-(4-bromobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide (PubChem CID 55533610) has the molecular formula C22H14BrF3N2O3 and a molecular weight of 491.26 g/mol. Its IUPAC name is 2-(4-bromobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-(4-bromobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
PubChem CID55533610
Molecular FormulaC22H14BrF3N2O3
Molecular Weight491.26 g/mol
Exact Mass490.01
IUPAC Name2-(4-bromobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C22H14BrF3N2O3/c23-13-7-5-12(6-8-13)21(30)14-3-1-2-4-15(14)22(31)27-11-18(29)28-17-10-9-16(24)19(25)20(17)26/h1-10H,11H2,(H,27,31)(H,28,29)
InChIKeyQFTLONVXDHPGDX-UHFFFAOYSA-N
XLogP4.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.26
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethylsulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 18168717
N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide
CID 1104902
3-chloro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 2113466
2-methyl-3-nitro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 7677590
N-[2-(2-bromoanilino)-2-oxoethyl]-2-fluorobenzamide
CID 7719800
6-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridine-3-carboxamide
CID 166201937
(4-bromophenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963924
2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 9461038
N-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]furan-3-carboxamide
CID 55648350
N-[2-(2,3-difluoroanilino)-2-oxoethyl]benzamide
CID 155977265
2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 60647160
4-bromo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 78895716

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The IUPAC name of 2-(4-bromobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide (CID 55533610) is 2-(4-bromobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide.
What is the SMILES notation for 2-(4-bromobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The canonical SMILES for 2-(4-bromobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide is O=C(CNC(=O)c1ccccc1C(=O)c1ccc(Br)cc1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(4-bromobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
The InChIKey is QFTLONVXDHPGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrF3N2O3/c23-13-7-5-12(6-8-13)21(30)14-3-1-2-4-15(14)22(31)27-11-18(29)28-17-10-9-16(24)19(25)20(17)26/h1-10H,11H2,(H,27,31)(H,28,29).
What are the key properties of 2-(4-bromobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide?
2-(4-bromobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide has a molecular weight of 491.26 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromobenzoyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide is sourced from PubChem (CID 55533610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).