N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide

C21H16BrFN2O3 — CID 26913940

IUPACN-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
SMILESO=C(COc1ccccc1C(=O)Nc1ccc(Br)cc1)Nc1ccccc1F
InChIInChI=1S/C21H16BrFN2O3/c22-14-9-11-15(12-10-14)24-21(27)16-5-1-4-8-19(16)28-13-20(26)25-18-7-3-2-6-17(18)23/h1-12H,13H2,(H,24,27)(H,25,26)
InChIKeyNDZGNFMUQXUJFN-UHFFFAOYSA-N
MW443.27 g/mol
LogP4.86
Rot. Bonds6

About N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide

N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide (PubChem CID 26913940) has the molecular formula C21H16BrFN2O3 and a molecular weight of 443.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
PubChem CID26913940
Molecular FormulaC21H16BrFN2O3
Molecular Weight443.27 g/mol
Exact Mass442.03
IUPAC NameN-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
SMILESO=C(COc1ccccc1C(=O)Nc1ccc(Br)cc1)Nc1ccccc1F
InChIInChI=1S/C21H16BrFN2O3/c22-14-9-11-15(12-10-14)24-21(27)16-5-1-4-8-19(16)28-13-20(26)25-18-7-3-2-6-17(18)23/h1-12H,13H2,(H,24,27)(H,25,26)
InChIKeyNDZGNFMUQXUJFN-UHFFFAOYSA-N
XLogP4.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.27
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide
CID 26289744
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783308
N-(2,4-difluorophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26360256
N-(4-bromophenyl)-2-[2-[[(2-hydroxybenzoyl)amino]carbamoyl]phenoxy]acetamide
CID 30156322
N-(3-cyanophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26727992
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
CID 46937197
2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 8852932
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-fluoro-4-methylphenyl)benzamide
CID 26523025
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 34373146
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 52897026
N-(cyclopropylmethyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 34822016
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide
CID 112759231

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide (CID 26913940) is N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide is O=C(COc1ccccc1C(=O)Nc1ccc(Br)cc1)Nc1ccccc1F.
What is the InChIKey of N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
The InChIKey is NDZGNFMUQXUJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrFN2O3/c22-14-9-11-15(12-10-14)24-21(27)16-5-1-4-8-19(16)28-13-20(26)25-18-7-3-2-6-17(18)23/h1-12H,13H2,(H,24,27)(H,25,26).
What are the key properties of N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?
N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide has a molecular weight of 443.27 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 26913940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).