2-[azetidin-3-yl(propyl)amino]-6-fluorobenzamide

C13H18FN3O — CID 79523206

IUPAC2-[azetidin-3-yl(propyl)amino]-6-fluorobenzamide
SMILESCCCN(c1cccc(F)c1C(N)=O)C1CNC1
InChIInChI=1S/C13H18FN3O/c1-2-6-17(9-7-16-8-9)11-5-3-4-10(14)12(11)13(15)18/h3-5,9,16H,2,6-8H2,1H3,(H2,15,18)
InChIKeyVFSOXVWIGIRWPD-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.11
Rot. Bonds5

About 2-[azetidin-3-yl(propyl)amino]-6-fluorobenzamide

2-[azetidin-3-yl(propyl)amino]-6-fluorobenzamide (PubChem CID 79523206) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-[azetidin-3-yl(propyl)amino]-6-fluorobenzamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(propyl)amino]-6-fluorobenzamide
PubChem CID79523206
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name2-[azetidin-3-yl(propyl)amino]-6-fluorobenzamide
SMILESCCCN(c1cccc(F)c1C(N)=O)C1CNC1
InChIInChI=1S/C13H18FN3O/c1-2-6-17(9-7-16-8-9)11-5-3-4-10(14)12(11)13(15)18/h3-5,9,16H,2,6-8H2,1H3,(H2,15,18)
InChIKeyVFSOXVWIGIRWPD-UHFFFAOYSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-2-nitrophenyl)-N-propylazetidin-3-amine
CID 66215143
3-(2-carbamoyl-N-cyclopropyl-3-fluoroanilino)propanoic acid
CID 79513281
2-[azetidin-3-yl(propyl)amino]-4-methylbenzamide
CID 66215739
2-[propyl(pyrrolidin-3-yl)amino]benzamide
CID 63304357
N-(2-fluoro-6-nitrophenyl)-N-propylazetidin-3-amine
CID 112740791
N-(azetidin-3-yl)-3-fluoro-N-propylpyridin-2-amine
CID 66216548
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide
CID 79522956
2-chloro-6-fluoro-N-piperidin-3-yl-N-propylbenzamide
CID 63636405
2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline
CID 79517972
2-chloro-6-[ethyl(piperidin-3-yl)amino]benzamide
CID 63638436
4-[azetidin-3-yl(propyl)amino]pyridine-2-carboxamide
CID 66214733
2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide
CID 66215341

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(propyl)amino]-6-fluorobenzamide?
The IUPAC name of 2-[azetidin-3-yl(propyl)amino]-6-fluorobenzamide (CID 79523206) is 2-[azetidin-3-yl(propyl)amino]-6-fluorobenzamide.
What is the SMILES notation for 2-[azetidin-3-yl(propyl)amino]-6-fluorobenzamide?
The canonical SMILES for 2-[azetidin-3-yl(propyl)amino]-6-fluorobenzamide is CCCN(c1cccc(F)c1C(N)=O)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(propyl)amino]-6-fluorobenzamide?
The InChIKey is VFSOXVWIGIRWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-2-6-17(9-7-16-8-9)11-5-3-4-10(14)12(11)13(15)18/h3-5,9,16H,2,6-8H2,1H3,(H2,15,18).
What are the key properties of 2-[azetidin-3-yl(propyl)amino]-6-fluorobenzamide?
2-[azetidin-3-yl(propyl)amino]-6-fluorobenzamide has a molecular weight of 251.30 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(propyl)amino]-6-fluorobenzamide is sourced from PubChem (CID 79523206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).