N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-2-fluorobenzamide

C17H26FN3O2 — CID 18160814

IUPACN-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-2-fluorobenzamide
SMILESCC(C)N(CCNC(=O)CNC(=O)c1ccccc1F)C(C)C
InChIInChI=1S/C17H26FN3O2/c1-12(2)21(13(3)4)10-9-19-16(22)11-20-17(23)14-7-5-6-8-15(14)18/h5-8,12-13H,9-11H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyANTMEUGTIPMMEE-UHFFFAOYSA-N
MW323.41 g/mol
LogP1.79
Rot. Bonds8

About N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-2-fluorobenzamide

N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 18160814) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-2-fluorobenzamide
PubChem CID18160814
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC NameN-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-2-fluorobenzamide
SMILESCC(C)N(CCNC(=O)CNC(=O)c1ccccc1F)C(C)C
InChIInChI=1S/C17H26FN3O2/c1-12(2)21(13(3)4)10-9-19-16(22)11-20-17(23)14-7-5-6-8-15(14)18/h5-8,12-13H,9-11H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyANTMEUGTIPMMEE-UHFFFAOYSA-N
XLogP1.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 29369017
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
CID 40628904
5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-2-fluorobenzamide
CID 60706871
2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide
CID 119742065
2-fluoro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 579782
2-fluoro-N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 9220655
2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide
CID 61247074
2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 18110116
2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
CID 2463726
N-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 112995050

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-2-fluorobenzamide (CID 18160814) is N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-2-fluorobenzamide is CC(C)N(CCNC(=O)CNC(=O)c1ccccc1F)C(C)C.
What is the InChIKey of N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is ANTMEUGTIPMMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-12(2)21(13(3)4)10-9-19-16(22)11-20-17(23)14-7-5-6-8-15(14)18/h5-8,12-13H,9-11H2,1-4H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 323.41 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[di(propan-2-yl)amino]ethylamino]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 18160814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).