N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide

C19H21FN2O4 — CID 110601130

IUPACN-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
SMILESCOc1ccc(OC)c(CCNC(=O)CNC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C19H21FN2O4/c1-25-16-6-7-17(26-2)13(11-16)8-9-21-18(23)12-22-19(24)14-4-3-5-15(20)10-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYAWJDRZIOIBGJA-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.93
Rot. Bonds8

About N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide

N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide (PubChem CID 110601130) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
PubChem CID110601130
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC NameN-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
SMILESCOc1ccc(OC)c(CCNC(=O)CNC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C19H21FN2O4/c1-25-16-6-7-17(26-2)13(11-16)8-9-21-18(23)12-22-19(24)14-4-3-5-15(20)10-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYAWJDRZIOIBGJA-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

2-chloro-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-6-fluorobenzamide
CID 110407843
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pyridine-3-carboxamide
CID 110407840
4-tert-butyl-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 110601136
N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-3-methoxybenzamide
CID 35613279
3-fluoro-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzamide
CID 113096429
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 41365243
N-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 41309387
3-(dimethylamino)-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 110795180
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide
CID 110601119
N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
CID 78784679
4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 119279771
N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3-methoxybenzamide
CID 110790375

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide (CID 110601130) is N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide is COc1ccc(OC)c(CCNC(=O)CNC(=O)c2cccc(F)c2)c1.
What is the InChIKey of N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide?
The InChIKey is YAWJDRZIOIBGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-25-16-6-7-17(26-2)13(11-16)8-9-21-18(23)12-22-19(24)14-4-3-5-15(20)10-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide?
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide 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-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide is sourced from PubChem (CID 110601130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).