2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide

C22H19FN2O3 — CID 17421842

IUPAC2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C22H19FN2O3/c1-15-10-12-16(13-11-15)28-20-9-5-4-8-19(20)25-21(26)14-24-22(27)17-6-2-3-7-18(17)23/h2-13H,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyMOGUIUJBTHMBFA-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.29
Rot. Bonds6

About 2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide

2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide (PubChem CID 17421842) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide
PubChem CID17421842
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C22H19FN2O3/c1-15-10-12-16(13-11-15)28-20-9-5-4-8-19(20)25-21(26)14-24-22(27)17-6-2-3-7-18(17)23/h2-13H,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyMOGUIUJBTHMBFA-UHFFFAOYSA-N
XLogP4.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.29
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-[2-oxo-2-(4-phenoxyanilino)ethyl]benzamide
CID 9413646
2-(4-fluorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 24681386
N-[2-(2-bromoanilino)-2-oxoethyl]-2-fluorobenzamide
CID 7719800
N-[2-[2-(4-ethoxyphenoxy)anilino]-2-oxoethyl]-3-fluorobenzamide
CID 112768786
N'-(4-methylphenyl)-N-[2-oxo-2-(2-phenoxyanilino)ethyl]oxamide
CID 17489902
2-fluoro-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 759350
3-acetamido-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 38505087
4-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]butanamide
CID 60567368
2-(4-chlorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 7925670
2-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 60567369
3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide
CID 109034509

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide (CID 17421842) is 2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide is Cc1ccc(Oc2ccccc2NC(=O)CNC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide?
The InChIKey is MOGUIUJBTHMBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c1-15-10-12-16(13-11-15)28-20-9-5-4-8-19(20)25-21(26)14-24-22(27)17-6-2-3-7-18(17)23/h2-13H,14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide has a molecular weight of 378.40 g/mol, XLogP of 4.29, 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-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 17421842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).