3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide

C12H14F2N2O2 — CID 107120671

IUPAC3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide
SMILESNc1cc(F)cc(C(=O)NCC2CCOC2)c1F
InChIInChI=1S/C12H14F2N2O2/c13-8-3-9(11(14)10(15)4-8)12(17)16-5-7-1-2-18-6-7/h3-4,7H,1-2,5-6,15H2,(H,16,17)
InChIKeyXSOYUBYSFXNEQN-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.31
Rot. Bonds3

About 3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide

3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 107120671) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is 3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide
PubChem CID107120671
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide
SMILESNc1cc(F)cc(C(=O)NCC2CCOC2)c1F
InChIInChI=1S/C12H14F2N2O2/c13-8-3-9(11(14)10(15)4-8)12(17)16-5-7-1-2-18-6-7/h3-4,7H,1-2,5-6,15H2,(H,16,17)
InChIKeyXSOYUBYSFXNEQN-UHFFFAOYSA-N
XLogP1.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide
CID 107121271
3-amino-2,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118728
6-amino-N-(oxolan-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 103542906
2-bromo-5-fluoro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
CID 63932911
3-amino-2,5-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 107121147
2,5-difluoro-3-nitro-N-(oxan-4-ylmethyl)benzamide
CID 107122076
5-chloro-2-fluoro-3-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396644
3-amino-2,5-difluoro-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
CID 107121122
4-amino-2-chloro-N-(oxolan-3-ylmethyl)benzamide
CID 61112400
3-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2,5-difluorobenzamide
CID 107121092
3-amino-2,6-difluoro-N-(oxan-3-ylmethyl)benzamide
CID 79773802
3-fluoro-2-hydrazinyl-N-(oxolan-3-ylmethyl)benzamide
CID 62824048

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide (CID 107120671) is 3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide is Nc1cc(F)cc(C(=O)NCC2CCOC2)c1F.
What is the InChIKey of 3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is XSOYUBYSFXNEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c13-8-3-9(11(14)10(15)4-8)12(17)16-5-7-1-2-18-6-7/h3-4,7H,1-2,5-6,15H2,(H,16,17).
What are the key properties of 3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide?
3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 256.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-difluoro-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 107120671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).