N-[2-(2-fluorophenyl)ethyl]-2-(hydroxymethyl)-N,3-dimethylbutanamide

C15H22FNO2 — CID 115187422

IUPACN-[2-(2-fluorophenyl)ethyl]-2-(hydroxymethyl)-N,3-dimethylbutanamide
SMILESCC(C)C(CO)C(=O)N(C)CCc1ccccc1F
InChIInChI=1S/C15H22FNO2/c1-11(2)13(10-18)15(19)17(3)9-8-12-6-4-5-7-14(12)16/h4-7,11,13,18H,8-10H2,1-3H3
InChIKeyPMEURSMCIYNGOS-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.09
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-2-(hydroxymethyl)-N,3-dimethylbutanamide

N-[2-(2-fluorophenyl)ethyl]-2-(hydroxymethyl)-N,3-dimethylbutanamide (PubChem CID 115187422) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-(hydroxymethyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-(hydroxymethyl)-N,3-dimethylbutanamide
PubChem CID115187422
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-(hydroxymethyl)-N,3-dimethylbutanamide
SMILESCC(C)C(CO)C(=O)N(C)CCc1ccccc1F
InChIInChI=1S/C15H22FNO2/c1-11(2)13(10-18)15(19)17(3)9-8-12-6-4-5-7-14(12)16/h4-7,11,13,18H,8-10H2,1-3H3
InChIKeyPMEURSMCIYNGOS-UHFFFAOYSA-N
XLogP2.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158349
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide
CID 115187094
2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 82127602
1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 115575226
5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid
CID 94695505
3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 94259708
N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)-N,3-dimethylbutanamide
CID 76925668
(2S)-2-acetamido-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 31138547
2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 115137737
N-[2-(2,5-difluorophenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141045
(2R)-2-amino-N-methyl-N-(2-naphthalen-1-ylethyl)propanamide
CID 119309086
2-[2-[2-aminopropanoyl(methyl)amino]ethyl]benzoic acid
CID 104548321

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(hydroxymethyl)-N,3-dimethylbutanamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(hydroxymethyl)-N,3-dimethylbutanamide (CID 115187422) is N-[2-(2-fluorophenyl)ethyl]-2-(hydroxymethyl)-N,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-(hydroxymethyl)-N,3-dimethylbutanamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-(hydroxymethyl)-N,3-dimethylbutanamide is CC(C)C(CO)C(=O)N(C)CCc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-(hydroxymethyl)-N,3-dimethylbutanamide?
The InChIKey is PMEURSMCIYNGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11(2)13(10-18)15(19)17(3)9-8-12-6-4-5-7-14(12)16/h4-7,11,13,18H,8-10H2,1-3H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-(hydroxymethyl)-N,3-dimethylbutanamide?
N-[2-(2-fluorophenyl)ethyl]-2-(hydroxymethyl)-N,3-dimethylbutanamide has a molecular weight of 267.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-(hydroxymethyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 115187422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).