3-fluoro-2-(oxolan-3-ylamino)benzamide

C11H13FN2O2 — CID 121349250

IUPAC3-fluoro-2-(oxolan-3-ylamino)benzamide
SMILESNC(=O)c1cccc(F)c1NC1CCOC1
InChIInChI=1S/C11H13FN2O2/c12-9-3-1-2-8(11(13)15)10(9)14-7-4-5-16-6-7/h1-3,7,14H,4-6H2,(H2,13,15)
InChIKeyYYDNECJMHLEZCO-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.13
Rot. Bonds3

About 3-fluoro-2-(oxolan-3-ylamino)benzamide

3-fluoro-2-(oxolan-3-ylamino)benzamide (PubChem CID 121349250) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is 3-fluoro-2-(oxolan-3-ylamino)benzamide.

Molecular Properties

Compound Name3-fluoro-2-(oxolan-3-ylamino)benzamide
PubChem CID121349250
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name3-fluoro-2-(oxolan-3-ylamino)benzamide
SMILESNC(=O)c1cccc(F)c1NC1CCOC1
InChIInChI=1S/C11H13FN2O2/c12-9-3-1-2-8(11(13)15)10(9)14-7-4-5-16-6-7/h1-3,7,14H,4-6H2,(H2,13,15)
InChIKeyYYDNECJMHLEZCO-UHFFFAOYSA-N
XLogP1.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-N-[3-(morpholin-4-yl)propyl]benzamide
CID 2306528
2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 24824960
2-[(4-fluorobenzoyl)amino]-N-(3-morpholinopropyl)benzamide
CID 2812996
2-(Benzoylamino)-N-(tetrahydro-2-furanylmethyl)benzamide
CID 570130
Benzamide, 2-((2-hydroxyethyl)amino)-
CID 3086277
2-amino-N-(oxolan-2-ylmethyl)benzamide
CID 3135654
2-[(phenylacetyl)amino]-N-(tetrahydrofuran-2-ylmethyl)benzamide
CID 4935418
2-[[(3S)-oxolan-3-yl]amino]-5-(4-propan-2-ylphenyl)benzamide
CID 145950771
5-Hex-1-ynyl-2-(oxolan-3-ylamino)benzamide
CID 166631876
2,4-difluoro-N-(2-{[(3-morpholinopropyl)amino]carbonyl}phenyl)benzamide
CID 2812995
2-(2-methoxyethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 56593302
4-Fluoro-N-[2-(2-morpholin-4-yl-ethylcarbamoyl)-phenyl]-benzamide
CID 1272684

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(oxolan-3-ylamino)benzamide?
The IUPAC name of 3-fluoro-2-(oxolan-3-ylamino)benzamide (CID 121349250) is 3-fluoro-2-(oxolan-3-ylamino)benzamide.
What is the SMILES notation for 3-fluoro-2-(oxolan-3-ylamino)benzamide?
The canonical SMILES for 3-fluoro-2-(oxolan-3-ylamino)benzamide is NC(=O)c1cccc(F)c1NC1CCOC1.
What is the InChIKey of 3-fluoro-2-(oxolan-3-ylamino)benzamide?
The InChIKey is YYDNECJMHLEZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-9-3-1-2-8(11(13)15)10(9)14-7-4-5-16-6-7/h1-3,7,14H,4-6H2,(H2,13,15).
What are the key properties of 3-fluoro-2-(oxolan-3-ylamino)benzamide?
3-fluoro-2-(oxolan-3-ylamino)benzamide has a molecular weight of 224.23 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(oxolan-3-ylamino)benzamide is sourced from PubChem (CID 121349250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).