N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide

C11H13F2NO3 — CID 104857865

IUPACN-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(F)(F)CO)cc1
InChIInChI=1S/C11H13F2NO3/c1-17-9-4-2-8(3-5-9)10(16)14-6-11(12,13)7-15/h2-5,15H,6-7H2,1H3,(H,14,16)
InChIKeyWINGPQSVYSESLY-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.05
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide

N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide (PubChem CID 104857865) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide
PubChem CID104857865
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(F)(F)CO)cc1
InChIInChI=1S/C11H13F2NO3/c1-17-9-4-2-8(3-5-9)10(16)14-6-11(12,13)7-15/h2-5,15H,6-7H2,1H3,(H,14,16)
InChIKeyWINGPQSVYSESLY-UHFFFAOYSA-N
XLogP1.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,2-difluoro-3-hydroxypropyl)-4-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

N-[2-(4-methoxyphenyl)-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 113090468
N-(3-chloro-2,2-dimethylpropyl)-4-methoxybenzamide
CID 115364498
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590
4-bromo-N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethoxybenzamide
CID 104857145
N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxybenzamide
CID 106250544
N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide
CID 104857085
N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 90498239
N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethylbenzamide
CID 113462790
4-methoxy-N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]benzamide
CID 55880093
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
2-[(4-methoxybenzoyl)amino]acetate
CID 6920131
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide (CID 104857865) is N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide is COc1ccc(C(=O)NCC(F)(F)CO)cc1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide?
The InChIKey is WINGPQSVYSESLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-17-9-4-2-8(3-5-9)10(16)14-6-11(12,13)7-15/h2-5,15H,6-7H2,1H3,(H,14,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide?
N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide has a molecular weight of 245.22 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzamide is sourced from PubChem (CID 104857865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).