N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide

C19H21FN2O4 — CID 41365243

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCCc2cccc(F)c2)cc1OC
InChIInChI=1S/C19H21FN2O4/c1-25-16-7-6-14(11-17(16)26-2)19(24)22-12-18(23)21-9-8-13-4-3-5-15(20)10-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKCFOAQZORUTBKU-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.93
Rot. Bonds8

About N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 41365243) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID41365243
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCCc2cccc(F)c2)cc1OC
InChIInChI=1S/C19H21FN2O4/c1-25-16-7-6-14(11-17(16)26-2)19(24)22-12-18(23)21-9-8-13-4-3-5-15(20)10-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKCFOAQZORUTBKU-UHFFFAOYSA-N
XLogP1.93
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-[2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 18118772
N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 9182358
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26463062
3-bromo-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 26775759
3-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 78812366
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 110601130
3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 112993558
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31116362
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878245
1-(3,4-dimethoxyphenyl)-3-[2-(3-fluorophenyl)ethyl]urea
CID 51290602
N-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55947983
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 41365353

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide (CID 41365243) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(=O)NCCc2cccc(F)c2)cc1OC.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is KCFOAQZORUTBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-25-16-7-6-14(11-17(16)26-2)19(24)22-12-18(23)21-9-8-13-4-3-5-15(20)10-13/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 360.39 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 41365243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).