N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2,2-dimethylpropanamide

C15H18FNO2 — CID 65435657

IUPACN-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(C#CCCO)c(F)c1
InChIInChI=1S/C15H18FNO2/c1-15(2,3)14(19)17-12-8-7-11(13(16)10-12)6-4-5-9-18/h7-8,10,18H,5,9H2,1-3H3,(H,17,19)
InChIKeyPIHVFHTWVNNLEW-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.54
Rot. Bonds2

About N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2,2-dimethylpropanamide

N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 65435657) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2,2-dimethylpropanamide
PubChem CID65435657
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC NameN-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(C#CCCO)c(F)c1
InChIInChI=1S/C15H18FNO2/c1-15(2,3)14(19)17-12-8-7-11(13(16)10-12)6-4-5-9-18/h7-8,10,18H,5,9H2,1-3H3,(H,17,19)
InChIKeyPIHVFHTWVNNLEW-UHFFFAOYSA-N
XLogP2.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

1-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-3-propan-2-ylurea
CID 65435681
2-tert-butylsulfanyl-N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 65437630
N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2-methylbutanamide
CID 65436053
N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]pyridine-4-carboxamide
CID 65435087
N-[5-chloro-2-(4-hydroxybut-1-ynyl)phenyl]-2,2-dimethylpropanamide
CID 81270405
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 65434100
N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-5-methyloxolane-2-carboxamide
CID 81330161
N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 65437435
N-[2-(4-hydroxybut-1-ynyl)-4-methylphenyl]-2,2-dimethylpropanamide
CID 55025099
methyl N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]carbamate
CID 104780900
N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxyacetamide
CID 104780644
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxyacetamide
CID 65432741

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2,2-dimethylpropanamide (CID 65435657) is N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(C#CCCO)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is PIHVFHTWVNNLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-15(2,3)14(19)17-12-8-7-11(13(16)10-12)6-4-5-9-18/h7-8,10,18H,5,9H2,1-3H3,(H,17,19).
What are the key properties of N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2,2-dimethylpropanamide?
N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 263.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 65435657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).