3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide

C11H14F2N2O2 — CID 107120608

IUPAC3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide
SMILESCCN(CCO)C(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C11H14F2N2O2/c1-2-15(3-4-16)11(17)8-5-7(12)6-9(14)10(8)13/h5-6,16H,2-4,14H2,1H3
InChIKeyHHWQCRMCUKIVJE-UHFFFAOYSA-N
MW244.24 g/mol
LogP1.00
Rot. Bonds4

About 3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide

3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide (PubChem CID 107120608) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide
PubChem CID107120608
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide
SMILESCCN(CCO)C(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C11H14F2N2O2/c1-2-15(3-4-16)11(17)8-5-7(12)6-9(14)10(8)13/h5-6,16H,2-4,14H2,1H3
InChIKeyHHWQCRMCUKIVJE-UHFFFAOYSA-N
XLogP1.00
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)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-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107120758
N-ethyl-5-fluoro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 60706405
2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 113468555
N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
3-amino-2,5-difluoro-N-methyl-N-pentylbenzamide
CID 107120492
N-ethyl-2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)benzamide
CID 60722923
3-amino-2,5-difluoro-N-methyl-N-(2-methylsulfonylethyl)benzamide
CID 107121238
3-amino-N-(2,2-difluoroethyl)-2,5-difluoro-N-methylbenzamide
CID 107121456
2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 61425303
3-amino-N-[2-(ethylamino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
CID 107120734
3-amino-2,5-difluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 107120689
4-bromo-N-ethyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 60740683

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide (CID 107120608) is 3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide is CCN(CCO)C(=O)c1cc(F)cc(N)c1F.
What is the InChIKey of 3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide?
The InChIKey is HHWQCRMCUKIVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-2-15(3-4-16)11(17)8-5-7(12)6-9(14)10(8)13/h5-6,16H,2-4,14H2,1H3.
What are the key properties of 3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide?
3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide has a molecular weight of 244.24 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-2,5-difluoro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 107120608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).