2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide

C16H15F2NO2 — CID 61043567

IUPAC2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1c(F)cccc1F
InChIInChI=1S/C16H15F2NO2/c1-10(11-6-3-4-9-14(11)20)19(2)16(21)15-12(17)7-5-8-13(15)18/h3-10,20H,1-2H3
InChIKeyKUPINEPYPQYLHW-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.50
Rot. Bonds3

About 2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide

2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide (PubChem CID 61043567) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
PubChem CID61043567
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
SMILESCC(c1ccccc1O)N(C)C(=O)c1c(F)cccc1F
InChIInChI=1S/C16H15F2NO2/c1-10(11-6-3-4-9-14(11)20)19(2)16(21)15-12(17)7-5-8-13(15)18/h3-10,20H,1-2H3
InChIKeyKUPINEPYPQYLHW-UHFFFAOYSA-N
XLogP3.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide 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-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 104917662
2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid
CID 62627432
2-chloro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044537
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbenzamide
CID 61044662
3,5-diamino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61114053
4-amino-N-[1-(2-fluorophenyl)ethyl]-3-hydroxy-N-methylbenzamide
CID 107074457
methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate
CID 61044422
6-amino-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62980163
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60938948
1-(2-fluorophenyl)-N-[1-(2-hydroxyphenyl)ethyl]-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 71847040
N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide
CID 112725705

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide (CID 61043567) is 2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide is CC(c1ccccc1O)N(C)C(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide?
The InChIKey is KUPINEPYPQYLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-10(11-6-3-4-9-14(11)20)19(2)16(21)15-12(17)7-5-8-13(15)18/h3-10,20H,1-2H3.
What are the key properties of 2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide?
2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide has a molecular weight of 291.30 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 61043567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).