N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide

C11H13F2NO2 — CID 115139161

IUPACN-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)CCO
InChIInChI=1S/C11H13F2NO2/c1-14(11(16)4-5-15)7-8-2-3-9(12)10(13)6-8/h2-3,6,15H,4-5,7H2,1H3
InChIKeyGAWUKJYUOLOTMW-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.31
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide

N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide (PubChem CID 115139161) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
PubChem CID115139161
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
SMILESCN(Cc1ccc(F)c(F)c1)C(=O)CCO
InChIInChI=1S/C11H13F2NO2/c1-14(11(16)4-5-15)7-8-2-3-9(12)10(13)6-8/h2-3,6,15H,4-5,7H2,1H3
InChIKeyGAWUKJYUOLOTMW-UHFFFAOYSA-N
XLogP1.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139194
2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 60948624
3-[(3,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231927
ethyl N-[(3,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60729593
3-hydroxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 115139196
2-(2-aminoethoxy)-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 79473671
1-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylformamide
CID 115172325
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-N-methylpropanamide
CID 115152939
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
3-hydroxy-N-methyl-N-[(4-propylphenyl)methyl]propanamide
CID 115139143
N-[(3,4-difluorophenyl)methyl]-N-methylbut-2-enamide
CID 112725264
N-[(3,4-difluorophenyl)methyl]-N-methyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55631751

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide (CID 115139161) is N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide is CN(Cc1ccc(F)c(F)c1)C(=O)CCO.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide?
The InChIKey is GAWUKJYUOLOTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-14(11(16)4-5-15)7-8-2-3-9(12)10(13)6-8/h2-3,6,15H,4-5,7H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide?
N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide has a molecular weight of 229.23 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115139161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).