N-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide

C21H26FN3O2 — CID 78902086

IUPACN-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide
SMILESCCN(CC)Cc1cccc(CNC(=O)CNC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C21H26FN3O2/c1-3-25(4-2)15-17-8-5-7-16(11-17)13-23-20(26)14-24-21(27)18-9-6-10-19(22)12-18/h5-12H,3-4,13-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyMLVHXAKVYLWGLI-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.71
Rot. Bonds9

About N-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide

N-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide (PubChem CID 78902086) has the molecular formula C21H26FN3O2 and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide
PubChem CID78902086
Molecular FormulaC21H26FN3O2
Molecular Weight371.46 g/mol
Exact Mass371.20
IUPAC NameN-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide
SMILESCCN(CC)Cc1cccc(CNC(=O)CNC(=O)c2cccc(F)c2)c1
InChIInChI=1S/C21H26FN3O2/c1-3-25(4-2)15-17-8-5-7-16(11-17)13-23-20(26)14-24-21(27)18-9-6-10-19(22)12-18/h5-12H,3-4,13-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyMLVHXAKVYLWGLI-UHFFFAOYSA-N
XLogP2.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-(butylamino)-2-oxoethyl]-3-fluorobenzamide
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N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(4-ethylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide (CID 78902086) is N-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide is CCN(CC)Cc1cccc(CNC(=O)CNC(=O)c2cccc(F)c2)c1.
What is the InChIKey of N-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide?
The InChIKey is MLVHXAKVYLWGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2/c1-3-25(4-2)15-17-8-5-7-16(11-17)13-23-20(26)14-24-21(27)18-9-6-10-19(22)12-18/h5-12H,3-4,13-15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide?
N-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide has a molecular weight of 371.46 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide is sourced from PubChem (CID 78902086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).