N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide

C13H18FNO2 — CID 71982886

IUPACN-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(O)c1ccccc1F
InChIInChI=1S/C13H18FNO2/c1-9(2)7-13(17)15-8-12(16)10-5-3-4-6-11(10)14/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyQWKZYQVMIVFMRD-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.02
Rot. Bonds5

About N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide (PubChem CID 71982886) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
PubChem CID71982886
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC(O)c1ccccc1F
InChIInChI=1S/C13H18FNO2/c1-9(2)7-13(17)15-8-12(16)10-5-3-4-6-11(10)14/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyQWKZYQVMIVFMRD-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-bromo-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]propanamide
CID 97181612
N-[2-(2-fluorophenyl)-2-hydroxyethyl]pent-4-enamide
CID 111566124
2-(2,6-dimethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
CID 111566012
N-[4-[[2-(2-fluorophenyl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 51080282
N-(3-amino-2-methylpropyl)-3-(2-fluorophenyl)butanamide
CID 119995472
N-ethyl-2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]propanamide
CID 54953469
2-(4-ethylphenoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]acetamide
CID 111566092
2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-methylpropanamide
CID 54950525
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(2-methylphenoxy)butanamide
CID 111565790
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-propylacetamide
CID 54938683
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide
CID 111578636

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide (CID 71982886) is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide is CC(C)CC(=O)NCC(O)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide?
The InChIKey is QWKZYQVMIVFMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9(2)7-13(17)15-8-12(16)10-5-3-4-6-11(10)14/h3-6,9,12,16H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide?
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide has a molecular weight of 239.29 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide is sourced from PubChem (CID 71982886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).