N-butyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide

C15H18FNO2 — CID 60817076

IUPACN-butyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
SMILESCCCCNC(=O)c1ccc(C#CCCO)cc1F
InChIInChI=1S/C15H18FNO2/c1-2-3-9-17-15(19)13-8-7-12(11-14(13)16)6-4-5-10-18/h7-8,11,18H,2-3,5,9-10H2,1H3,(H,17,19)
InChIKeyFHLMIHQWHFXYPX-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.09
Rot. Bonds5

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

N-butyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide (PubChem CID 60817076) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-butyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide.

Molecular Properties

Compound NameN-butyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
PubChem CID60817076
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC NameN-butyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
SMILESCCCCNC(=O)c1ccc(C#CCCO)cc1F
InChIInChI=1S/C15H18FNO2/c1-2-3-9-17-15(19)13-8-7-12(11-14(13)16)6-4-5-10-18/h7-8,11,18H,2-3,5,9-10H2,1H3,(H,17,19)
InChIKeyFHLMIHQWHFXYPX-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pentylbenzamide
CID 60817068
N-(3-amino-3-oxopropyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
CID 60821595
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
CID 60816257
N-butyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 54922080
2-fluoro-4-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 60821325
N-butyl-N-ethyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
CID 60817532
2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(2-methoxy-2-methylpropyl)benzamide
CID 104764886
2-fluoro-4-(4-hydroxybut-1-ynyl)-N-propan-2-ylbenzamide
CID 60816110
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentylbenzamide
CID 60817066
5-(3-aminoprop-1-ynyl)-N-butyl-2-fluorobenzamide
CID 60821115
2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
CID 60816903
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(3-methylsulfanylpropyl)benzamide
CID 63961199

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide?
The IUPAC name of N-butyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide (CID 60817076) is N-butyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide.
What is the SMILES notation for N-butyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide?
The canonical SMILES for N-butyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide is CCCCNC(=O)c1ccc(C#CCCO)cc1F.
What is the InChIKey of N-butyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide?
The InChIKey is FHLMIHQWHFXYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-2-3-9-17-15(19)13-8-7-12(11-14(13)16)6-4-5-10-18/h7-8,11,18H,2-3,5,9-10H2,1H3,(H,17,19).
What are the key properties of N-butyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide?
N-butyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide has a molecular weight of 263.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide is sourced from PubChem (CID 60817076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).