N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide

C18H19FN2O3 — CID 35613279

IUPACN-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C18H19FN2O3/c1-24-15-7-4-6-14(11-15)18(23)21-12-17(22)20-10-9-13-5-2-3-8-16(13)19/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyWHAJCCVSOCRKMF-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.92
Rot. Bonds7

About N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide

N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide (PubChem CID 35613279) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide
PubChem CID35613279
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C18H19FN2O3/c1-24-15-7-4-6-14(11-15)18(23)21-12-17(22)20-10-9-13-5-2-3-8-16(13)19/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyWHAJCCVSOCRKMF-UHFFFAOYSA-N
XLogP1.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 110601130
1-N-[2-(2-fluorophenyl)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047971
3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 112993558
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
[3-[2-[3-(2-fluorophenyl)propanoylamino]ethylcarbamoyl]phenyl] acetate
CID 108926954
N-[4-(2-fluorophenyl)butyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110607212
4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 8643346
2-fluoro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 579782
3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 112993552
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113028185
2-chloro-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-fluorobenzamide
CID 110407843
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-3-methoxybenzamide
CID 40718388

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide (CID 35613279) is N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCC(=O)NCCc2ccccc2F)c1.
What is the InChIKey of N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is WHAJCCVSOCRKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-24-15-7-4-6-14(11-15)18(23)21-12-17(22)20-10-9-13-5-2-3-8-16(13)19/h2-8,11H,9-10,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide?
N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 330.36 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 35613279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).