N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide

C15H22FN3O2 — CID 29369017

IUPACN-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide
SMILESCCN(CC)CCNC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C15H22FN3O2/c1-3-19(4-2)10-9-17-14(20)11-18-15(21)12-7-5-6-8-13(12)16/h5-8H,3-4,9-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyJFFKIMLOMRBGKT-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.01
Rot. Bonds8

About N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide

N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 29369017) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide
PubChem CID29369017
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide
SMILESCCN(CC)CCNC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C15H22FN3O2/c1-3-19(4-2)10-9-17-14(20)11-18-15(21)12-7-5-6-8-13(12)16/h5-8H,3-4,9-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyJFFKIMLOMRBGKT-UHFFFAOYSA-N
XLogP1.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
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N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide (CID 29369017) is N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide is CCN(CC)CCNC(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is JFFKIMLOMRBGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-3-19(4-2)10-9-17-14(20)11-18-15(21)12-7-5-6-8-13(12)16/h5-8H,3-4,9-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 295.36 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 29369017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).