2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxybenzamide

C12H16F2N2O3 — CID 107477866

IUPAC2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)N(CCO)CC(F)F)c1
InChIInChI=1S/C12H16F2N2O3/c1-19-8-2-3-10(15)9(6-8)12(18)16(4-5-17)7-11(13)14/h2-3,6,11,17H,4-5,7,15H2,1H3
InChIKeyYBNDTVPSEYEVEY-UHFFFAOYSA-N
MW274.27 g/mol
LogP0.98
Rot. Bonds6

About 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxybenzamide

2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxybenzamide (PubChem CID 107477866) has the molecular formula C12H16F2N2O3 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxybenzamide
PubChem CID107477866
Molecular FormulaC12H16F2N2O3
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Name2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)N(CCO)CC(F)F)c1
InChIInChI=1S/C12H16F2N2O3/c1-19-8-2-3-10(15)9(6-8)12(18)16(4-5-17)7-11(13)14/h2-3,6,11,17H,4-5,7,15H2,1H3
InChIKeyYBNDTVPSEYEVEY-UHFFFAOYSA-N
XLogP0.98
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxybenzamide 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

2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methylbenzamide
CID 107477906
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 107486037
N-(2,2-difluoroethyl)-2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 107482399
2-amino-N-(2,2-difluoroethyl)-5-methoxybenzamide
CID 115405286
2-fluoro-N,N-bis(2-hydroxyethyl)-4-methoxybenzamide
CID 103604552
2-amino-N-(2-hydroxy-3-methoxypropyl)-5-methoxy-N-methylbenzamide
CID 54994939
2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide
CID 54878406
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methoxypyridine-3-carboxamide
CID 107483009
2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-5-methoxybenzamide
CID 102858713
2-amino-N-cyclopropyl-5-methoxy-N-(3-methylbutyl)benzamide
CID 61105374
2-amino-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 60954479
2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54904342

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxybenzamide?
The IUPAC name of 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxybenzamide (CID 107477866) is 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxybenzamide is COc1ccc(N)c(C(=O)N(CCO)CC(F)F)c1.
What is the InChIKey of 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxybenzamide?
The InChIKey is YBNDTVPSEYEVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3/c1-19-8-2-3-10(15)9(6-8)12(18)16(4-5-17)7-11(13)14/h2-3,6,11,17H,4-5,7,15H2,1H3.
What are the key properties of 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxybenzamide?
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxybenzamide has a molecular weight of 274.27 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxybenzamide is sourced from PubChem (CID 107477866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).