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

C11H13FN2O2 — CID 121349248

IUPACN-fluoro-2-(oxolan-3-ylamino)benzamide
SMILESO=C(NF)c1ccccc1NC1CCOC1
InChIInChI=1S/C11H13FN2O2/c12-14-11(15)9-3-1-2-4-10(9)13-8-5-6-16-7-8/h1-4,8,13H,5-7H2,(H,14,15)
InChIKeyXKBWSTNOFDOTAL-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.50
Rot. Bonds3

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

N-fluoro-2-(oxolan-3-ylamino)benzamide (PubChem CID 121349248) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is N-fluoro-2-(oxolan-3-ylamino)benzamide.

Molecular Properties

Compound NameN-fluoro-2-(oxolan-3-ylamino)benzamide
PubChem CID121349248
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC NameN-fluoro-2-(oxolan-3-ylamino)benzamide
SMILESO=C(NF)c1ccccc1NC1CCOC1
InChIInChI=1S/C11H13FN2O2/c12-14-11(15)9-3-1-2-4-10(9)13-8-5-6-16-7-8/h1-4,8,13H,5-7H2,(H,14,15)
InChIKeyXKBWSTNOFDOTAL-UHFFFAOYSA-N
XLogP1.50
TPSA50.36 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 ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-Amino-N-[3-(morpholin-4-yl)propyl]benzamide
CID 2306528
2-(Methylamino)benzamide
CID 101222
2-(Morpholine-4-carbonyl)aniline
CID 726276
2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 24824960
Methyl n-(2-aminobenzoyl)glycinate
CID 273128
N-(2-carbamoylphenyl)morpholine-4-carboxamide
CID 788807
N-[2-(4-morpholinylcarbonyl)phenyl]-3-phenylpropanamide
CID 2206381
2-benzamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 2812678
2-[(4-fluorobenzoyl)amino]-N-(3-morpholinopropyl)benzamide
CID 2812996
Butyl 2-(4-morpholinylcarbonyl)phenylcarbamate
CID 2175702
N-(2-{[(2-phenylethyl)amino]carbonyl}phenyl)tetrahydrofuran-2-carboxamide
CID 4916602
methyl (2S)-2-[(2-aminobenzoyl)amino]propanoate
CID 11984151

Frequently Asked Questions

What is the IUPAC name of N-fluoro-2-(oxolan-3-ylamino)benzamide?
The IUPAC name of N-fluoro-2-(oxolan-3-ylamino)benzamide (CID 121349248) is N-fluoro-2-(oxolan-3-ylamino)benzamide.
What is the SMILES notation for N-fluoro-2-(oxolan-3-ylamino)benzamide?
The canonical SMILES for N-fluoro-2-(oxolan-3-ylamino)benzamide is O=C(NF)c1ccccc1NC1CCOC1.
What is the InChIKey of N-fluoro-2-(oxolan-3-ylamino)benzamide?
The InChIKey is XKBWSTNOFDOTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-14-11(15)9-3-1-2-4-10(9)13-8-5-6-16-7-8/h1-4,8,13H,5-7H2,(H,14,15).
What are the key properties of N-fluoro-2-(oxolan-3-ylamino)benzamide?
N-fluoro-2-(oxolan-3-ylamino)benzamide has a molecular weight of 224.23 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-2-(oxolan-3-ylamino)benzamide is sourced from PubChem (CID 121349248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).