N-(2,2-difluoroethyl)-2,4-dihydroxy-N-(2-methoxyethyl)benzamide

C12H15F2NO4 — CID 122149694

IUPACN-(2,2-difluoroethyl)-2,4-dihydroxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(F)F)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C12H15F2NO4/c1-19-5-4-15(7-11(13)14)12(18)9-3-2-8(16)6-10(9)17/h2-3,6,11,16-17H,4-5,7H2,1H3
InChIKeyMCCVWPQSJIOVQM-UHFFFAOYSA-N
MW275.25 g/mol
LogP1.45
Rot. Bonds6

About N-(2,2-difluoroethyl)-2,4-dihydroxy-N-(2-methoxyethyl)benzamide

N-(2,2-difluoroethyl)-2,4-dihydroxy-N-(2-methoxyethyl)benzamide (PubChem CID 122149694) has the molecular formula C12H15F2NO4 and a molecular weight of 275.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2,4-dihydroxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2,4-dihydroxy-N-(2-methoxyethyl)benzamide
PubChem CID122149694
Molecular FormulaC12H15F2NO4
Molecular Weight275.25 g/mol
Exact Mass275.10
IUPAC NameN-(2,2-difluoroethyl)-2,4-dihydroxy-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(F)F)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C12H15F2NO4/c1-19-5-4-15(7-11(13)14)12(18)9-3-2-8(16)6-10(9)17/h2-3,6,11,16-17H,4-5,7H2,1H3
InChIKeyMCCVWPQSJIOVQM-UHFFFAOYSA-N
XLogP1.45
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,2-difluoroethyl)-2,4-dihydroxy-N-(2-methoxyethyl)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

2,5-dihydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 103892150
4-bromo-N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxybenzamide
CID 107491830
N-(3-amino-3-sulfanylidenepropyl)-2-fluoro-4-hydroxy-N-(2-methoxyethyl)benzamide
CID 107676080
ethyl 2-[(4-hydroxy-2-methylbenzoyl)-(2-methoxyethyl)amino]acetate
CID 103863690
methyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate
CID 55008203
2,5-dihydroxy-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 103892100
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 107477866
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-hydroxy-5-methylbenzamide
CID 107491889
(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)propanamide
CID 119314780
ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate
CID 106501591
methyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate
CID 43422761
N-(2-chloroethyl)-5-fluoro-2-hydroxy-N-(2-methoxyethyl)benzamide
CID 113468216

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2,4-dihydroxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-(2,2-difluoroethyl)-2,4-dihydroxy-N-(2-methoxyethyl)benzamide (CID 122149694) is N-(2,2-difluoroethyl)-2,4-dihydroxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2,4-dihydroxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2,4-dihydroxy-N-(2-methoxyethyl)benzamide is COCCN(CC(F)F)C(=O)c1ccc(O)cc1O.
What is the InChIKey of N-(2,2-difluoroethyl)-2,4-dihydroxy-N-(2-methoxyethyl)benzamide?
The InChIKey is MCCVWPQSJIOVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO4/c1-19-5-4-15(7-11(13)14)12(18)9-3-2-8(16)6-10(9)17/h2-3,6,11,16-17H,4-5,7H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-2,4-dihydroxy-N-(2-methoxyethyl)benzamide?
N-(2,2-difluoroethyl)-2,4-dihydroxy-N-(2-methoxyethyl)benzamide has a molecular weight of 275.25 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2,4-dihydroxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 122149694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).