2-fluoro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]benzamide

C21H17FN2O3 — CID 9413646

IUPAC2-fluoro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H17FN2O3/c22-19-9-5-4-8-18(19)21(26)23-14-20(25)24-15-10-12-17(13-11-15)27-16-6-2-1-3-7-16/h1-13H,14H2,(H,23,26)(H,24,25)
InChIKeyNCTIYSJOXPADQN-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.99
Rot. Bonds6

About 2-fluoro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]benzamide

2-fluoro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]benzamide (PubChem CID 9413646) has the molecular formula C21H17FN2O3 and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-fluoro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]benzamide
PubChem CID9413646
Molecular FormulaC21H17FN2O3
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC Name2-fluoro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H17FN2O3/c22-19-9-5-4-8-18(19)21(26)23-14-20(25)24-15-10-12-17(13-11-15)27-16-6-2-1-3-7-16/h1-13H,14H2,(H,23,26)(H,24,25)
InChIKeyNCTIYSJOXPADQN-UHFFFAOYSA-N
XLogP3.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 3424482
2-fluoro-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 759350
2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide
CID 17421842
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26694803
N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-4-phenoxybenzamide
CID 9405216
N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)propanediamide
CID 108954775
2-fluoro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 55704463
2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82723711
2-chloro-N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]benzamide
CID 9405069
2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60717185
[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602179
2-fluoro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]-2-oxoethyl]benzamide
CID 8533912

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]benzamide (CID 9413646) is 2-fluoro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]benzamide is O=C(CNC(=O)c1ccccc1F)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-fluoro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]benzamide?
The InChIKey is NCTIYSJOXPADQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3/c22-19-9-5-4-8-18(19)21(26)23-14-20(25)24-15-10-12-17(13-11-15)27-16-6-2-1-3-7-16/h1-13H,14H2,(H,23,26)(H,24,25).
What are the key properties of 2-fluoro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]benzamide?
2-fluoro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]benzamide has a molecular weight of 364.38 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-oxo-2-(4-phenoxyanilino)ethyl]benzamide is sourced from PubChem (CID 9413646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).