N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide

C15H18FNO2 — CID 60804230

IUPACN-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc(C#CCCO)cc1F
InChIInChI=1S/C15H18FNO2/c1-3-11(2)15(19)17-14-8-7-12(10-13(14)16)6-4-5-9-18/h7-8,10-11,18H,3,5,9H2,1-2H3,(H,17,19)
InChIKeyRKLRAXRCMFRGGK-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.54
Rot. Bonds4

About N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide

N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide (PubChem CID 60804230) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide
PubChem CID60804230
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC NameN-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccc(C#CCCO)cc1F
InChIInChI=1S/C15H18FNO2/c1-3-11(2)15(19)17-14-8-7-12(10-13(14)16)6-4-5-9-18/h7-8,10-11,18H,3,5,9H2,1-2H3,(H,17,19)
InChIKeyRKLRAXRCMFRGGK-UHFFFAOYSA-N
XLogP2.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]propanamide
CID 83148694
1-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propylurea
CID 54923015
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]butanamide
CID 60803011
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-methylsulfanylpropanamide
CID 60804946
N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide
CID 65436053
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide
CID 60803530
2-cyclopropyl-N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]propanamide
CID 83149306
4-[3-fluoro-4-(2-methylpropylsulfamoylamino)phenyl]but-3-yn-1-ol
CID 114816399
N-(4-amino-2-fluorophenyl)-2-methylbutanamide
CID 43831298
N-(4-bromo-2-fluorophenyl)-2-methylbutanamide
CID 4635921
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 60802676
2-fluoro-4-(4-hydroxybut-1-ynyl)-N-propan-2-ylbenzamide
CID 60816110

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide?
The IUPAC name of N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide (CID 60804230) is N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide.
What is the SMILES notation for N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide?
The canonical SMILES for N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide is CCC(C)C(=O)Nc1ccc(C#CCCO)cc1F.
What is the InChIKey of N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide?
The InChIKey is RKLRAXRCMFRGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-3-11(2)15(19)17-14-8-7-12(10-13(14)16)6-4-5-9-18/h7-8,10-11,18H,3,5,9H2,1-2H3,(H,17,19).
What are the key properties of N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide?
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide has a molecular weight of 263.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide is sourced from PubChem (CID 60804230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).