N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide

C18H19FN2O2 — CID 2681293

IUPACN-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2/c1-13-4-2-3-5-16(13)18(23)21-12-17(22)20-11-10-14-6-8-15(19)9-7-14/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyFXRWGUYHKXGDMN-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.22
Rot. Bonds6

About N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide

N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide (PubChem CID 2681293) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
PubChem CID2681293
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2/c1-13-4-2-3-5-16(13)18(23)21-12-17(22)20-11-10-14-6-8-15(19)9-7-14/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyFXRWGUYHKXGDMN-UHFFFAOYSA-N
XLogP2.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]benzamide
CID 51162268
N-[2-[2-(4-tert-butylphenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
CID 46433649
2-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 18104952
2-methyl-N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 46651326
2-(4-fluorophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993239
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide
CID 94280945
N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112993407
N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 9182422
2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 18105664
2-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 62185963
4-fluoro-N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 27548793
2-iodo-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263740

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide (CID 2681293) is N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide?
The InChIKey is FXRWGUYHKXGDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-13-4-2-3-5-16(13)18(23)21-12-17(22)20-11-10-14-6-8-15(19)9-7-14/h2-9H,10-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide?
N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 314.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 2681293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).