N-(2,2-dimethylbutyl)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide

C17H22FNO2 — CID 103463889

IUPACN-(2,2-dimethylbutyl)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
SMILESCCC(C)(C)CNC(=O)c1ccc(F)cc1C#CCCO
InChIInChI=1S/C17H22FNO2/c1-4-17(2,3)12-19-16(21)15-9-8-14(18)11-13(15)7-5-6-10-20/h8-9,11,20H,4,6,10,12H2,1-3H3,(H,19,21)
InChIKeyYBGGRQKMAHNMHR-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.73
Rot. Bonds5

About N-(2,2-dimethylbutyl)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide

N-(2,2-dimethylbutyl)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide (PubChem CID 103463889) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
PubChem CID103463889
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC NameN-(2,2-dimethylbutyl)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
SMILESCCC(C)(C)CNC(=O)c1ccc(F)cc1C#CCCO
InChIInChI=1S/C17H22FNO2/c1-4-17(2,3)12-19-16(21)15-9-8-14(18)11-13(15)7-5-6-10-20/h8-9,11,20H,4,6,10,12H2,1-3H3,(H,19,21)
InChIKeyYBGGRQKMAHNMHR-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,2-dimethylbutyl)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-2-(4-hydroxybut-1-ynyl)-N-propylbenzamide
CID 60816255
N-butyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 54922080
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentylbenzamide
CID 60817066
N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 114943850
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentan-2-ylbenzamide
CID 60817366
N-(2,2-dimethylbutyl)-4-fluoro-2-iodobenzamide
CID 106547719
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60821336
2-bromo-N-(2,2-dimethylbutyl)-5-fluorobenzamide
CID 103461894
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)-N-methylbenzamide
CID 61428502
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 60816119
N-[2-(dimethylamino)ethyl]-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide
CID 63699667
N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide
CID 60820831

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide?
The IUPAC name of N-(2,2-dimethylbutyl)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide (CID 103463889) is N-(2,2-dimethylbutyl)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide is CCC(C)(C)CNC(=O)c1ccc(F)cc1C#CCCO.
What is the InChIKey of N-(2,2-dimethylbutyl)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide?
The InChIKey is YBGGRQKMAHNMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-4-17(2,3)12-19-16(21)15-9-8-14(18)11-13(15)7-5-6-10-20/h8-9,11,20H,4,6,10,12H2,1-3H3,(H,19,21).
What are the key properties of N-(2,2-dimethylbutyl)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide?
N-(2,2-dimethylbutyl)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide has a molecular weight of 291.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide is sourced from PubChem (CID 103463889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).