5-[2-(azetidin-3-yl)propanoylamino]-2-fluorobenzamide

C13H16FN3O2 — CID 116675472

IUPAC5-[2-(azetidin-3-yl)propanoylamino]-2-fluorobenzamide
SMILESCC(C(=O)Nc1ccc(F)c(C(N)=O)c1)C1CNC1
InChIInChI=1S/C13H16FN3O2/c1-7(8-5-16-6-8)13(19)17-9-2-3-11(14)10(4-9)12(15)18/h2-4,7-8,16H,5-6H2,1H3,(H2,15,18)(H,17,19)
InChIKeyORDQQNZGHLRKRV-UHFFFAOYSA-N
MW265.29 g/mol
LogP0.72
Rot. Bonds4

About 5-[2-(azetidin-3-yl)propanoylamino]-2-fluorobenzamide

5-[2-(azetidin-3-yl)propanoylamino]-2-fluorobenzamide (PubChem CID 116675472) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-[2-(azetidin-3-yl)propanoylamino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[2-(azetidin-3-yl)propanoylamino]-2-fluorobenzamide
PubChem CID116675472
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name5-[2-(azetidin-3-yl)propanoylamino]-2-fluorobenzamide
SMILESCC(C(=O)Nc1ccc(F)c(C(N)=O)c1)C1CNC1
InChIInChI=1S/C13H16FN3O2/c1-7(8-5-16-6-8)13(19)17-9-2-3-11(14)10(4-9)12(15)18/h2-4,7-8,16H,5-6H2,1H3,(H2,15,18)(H,17,19)
InChIKeyORDQQNZGHLRKRV-UHFFFAOYSA-N
XLogP0.72
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-fluorophenyl)-2-(azetidin-3-yl)propanamide
CID 116675124
5-(2-aminopropanoylamino)-2-fluorobenzamide
CID 43706569
5-[2-(azetidin-3-yl)propanoylamino]-2-chlorobenzoic acid
CID 116675875
3-(3-carbamoyl-4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114897829
5-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-fluorobenzamide
CID 61180405
5-[(2-amino-3-methylbutanoyl)amino]-2-fluorobenzamide
CID 43706561
N-(4-acetamidophenyl)-2-(azetidin-3-yl)propanamide
CID 116674626
2-(azetidin-3-yl)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)propanamide
CID 116676043
5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide
CID 61180404
2-cyclopropyl-N-(3,4-difluorophenyl)propanamide
CID 110428971
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007085
methyl N-[4-[2-(azetidin-3-yl)propanoylamino]phenyl]carbamate
CID 116675796

Frequently Asked Questions

What is the IUPAC name of 5-[2-(azetidin-3-yl)propanoylamino]-2-fluorobenzamide?
The IUPAC name of 5-[2-(azetidin-3-yl)propanoylamino]-2-fluorobenzamide (CID 116675472) is 5-[2-(azetidin-3-yl)propanoylamino]-2-fluorobenzamide.
What is the SMILES notation for 5-[2-(azetidin-3-yl)propanoylamino]-2-fluorobenzamide?
The canonical SMILES for 5-[2-(azetidin-3-yl)propanoylamino]-2-fluorobenzamide is CC(C(=O)Nc1ccc(F)c(C(N)=O)c1)C1CNC1.
What is the InChIKey of 5-[2-(azetidin-3-yl)propanoylamino]-2-fluorobenzamide?
The InChIKey is ORDQQNZGHLRKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-7(8-5-16-6-8)13(19)17-9-2-3-11(14)10(4-9)12(15)18/h2-4,7-8,16H,5-6H2,1H3,(H2,15,18)(H,17,19).
What are the key properties of 5-[2-(azetidin-3-yl)propanoylamino]-2-fluorobenzamide?
5-[2-(azetidin-3-yl)propanoylamino]-2-fluorobenzamide has a molecular weight of 265.29 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(azetidin-3-yl)propanoylamino]-2-fluorobenzamide is sourced from PubChem (CID 116675472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).