2-(azetidine-1-carbonyl)-5-fluorobenzamide

C11H11FN2O2 — CID 70098132

IUPAC2-(azetidine-1-carbonyl)-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1C(=O)N1CCC1
InChIInChI=1S/C11H11FN2O2/c12-7-2-3-8(9(6-7)10(13)15)11(16)14-4-1-5-14/h2-3,6H,1,4-5H2,(H2,13,15)
InChIKeyYZRHQNBOXHINAX-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.77
Rot. Bonds2

About 2-(azetidine-1-carbonyl)-5-fluorobenzamide

2-(azetidine-1-carbonyl)-5-fluorobenzamide (PubChem CID 70098132) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-(azetidine-1-carbonyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-(azetidine-1-carbonyl)-5-fluorobenzamide
PubChem CID70098132
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name2-(azetidine-1-carbonyl)-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1C(=O)N1CCC1
InChIInChI=1S/C11H11FN2O2/c12-7-2-3-8(9(6-7)10(13)15)11(16)14-4-1-5-14/h2-3,6H,1,4-5H2,(H2,13,15)
InChIKeyYZRHQNBOXHINAX-UHFFFAOYSA-N
XLogP0.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 130163592
(2-amino-4-fluorophenyl)-(azocan-1-yl)methanone
CID 55139020
1-[4-(2-amino-4-fluorobenzoyl)-1,4-diazepan-1-yl]ethanone
CID 62074859
(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 24709222
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
CID 24691759
(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
CID 103615017
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
2-(piperidine-1-carbonyl)-5-propan-2-ylbenzamide
CID 68832507
4-fluoro-2-(piperidine-1-carbonyl)benzenesulfonamide
CID 60875632
5-methoxy-2-(piperidine-1-carbonyl)benzamide
CID 68835817
(4-fluoro-2-hydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 113346238

Frequently Asked Questions

What is the IUPAC name of 2-(azetidine-1-carbonyl)-5-fluorobenzamide?
The IUPAC name of 2-(azetidine-1-carbonyl)-5-fluorobenzamide (CID 70098132) is 2-(azetidine-1-carbonyl)-5-fluorobenzamide.
What is the SMILES notation for 2-(azetidine-1-carbonyl)-5-fluorobenzamide?
The canonical SMILES for 2-(azetidine-1-carbonyl)-5-fluorobenzamide is NC(=O)c1cc(F)ccc1C(=O)N1CCC1.
What is the InChIKey of 2-(azetidine-1-carbonyl)-5-fluorobenzamide?
The InChIKey is YZRHQNBOXHINAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c12-7-2-3-8(9(6-7)10(13)15)11(16)14-4-1-5-14/h2-3,6H,1,4-5H2,(H2,13,15).
What are the key properties of 2-(azetidine-1-carbonyl)-5-fluorobenzamide?
2-(azetidine-1-carbonyl)-5-fluorobenzamide has a molecular weight of 222.22 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidine-1-carbonyl)-5-fluorobenzamide is sourced from PubChem (CID 70098132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).