N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide

C13H18FNO2 — CID 115141021

IUPACN-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide
SMILESCc1cc(CCN(C)C(=O)C(C)O)ccc1F
InChIInChI=1S/C13H18FNO2/c1-9-8-11(4-5-12(9)14)6-7-15(3)13(17)10(2)16/h4-5,8,10,16H,6-7H2,1-3H3
InChIKeyGDPLKTPNGZWBLB-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.52
Rot. Bonds4

About N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide

N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide (PubChem CID 115141021) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide
PubChem CID115141021
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide
SMILESCc1cc(CCN(C)C(=O)C(C)O)ccc1F
InChIInChI=1S/C13H18FNO2/c1-9-8-11(4-5-12(9)14)6-7-15(3)13(17)10(2)16/h4-5,8,10,16H,6-7H2,1-3H3
InChIKeyGDPLKTPNGZWBLB-UHFFFAOYSA-N
XLogP1.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-[2-(4-methoxy-3-methylphenyl)ethyl]-N-methylpropanamide
CID 115141022
2-cyano-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylbutanamide
CID 115188435
N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141045
1-(aminomethyl)-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115182798
[2-(4-fluoro-3-methylphenyl)ethyl-methylamino]methanol
CID 115229428
4-(4-fluoro-3-methylphenyl)butan-2-ol
CID 64516741
2-N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040092
4-[2-(4-fluoro-3-methylphenyl)ethyl-methylamino]butanoic acid
CID 115218770
2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N,3-dimethylbutanamide
CID 115187558
N-(3-amino-2-methylpropyl)-3-(4-fluoro-3-methylphenyl)-N-methylpropanamide
CID 115272485
1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol
CID 64515839
1-(4-fluoro-3-methylphenyl)pentan-3-ol
CID 64515114

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide?
The IUPAC name of N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide (CID 115141021) is N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide.
What is the SMILES notation for N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide?
The canonical SMILES for N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide is Cc1cc(CCN(C)C(=O)C(C)O)ccc1F.
What is the InChIKey of N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide?
The InChIKey is GDPLKTPNGZWBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9-8-11(4-5-12(9)14)6-7-15(3)13(17)10(2)16/h4-5,8,10,16H,6-7H2,1-3H3.
What are the key properties of N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide?
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide has a molecular weight of 239.29 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115141021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).