N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide

C15H16FNO2 — CID 104780641

IUPACN-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(F)c(C#CCCO)c1)C1CCC1
InChIInChI=1S/C15H16FNO2/c16-14-8-7-13(10-12(14)4-1-2-9-18)17-15(19)11-5-3-6-11/h7-8,10-11,18H,2-3,5-6,9H2,(H,17,19)
InChIKeyBCLDGOOTFYDZOE-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.30
Rot. Bonds3

About N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide

N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide (PubChem CID 104780641) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide
PubChem CID104780641
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC NameN-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(F)c(C#CCCO)c1)C1CCC1
InChIInChI=1S/C15H16FNO2/c16-14-8-7-13(10-12(14)4-1-2-9-18)17-15(19)11-5-3-6-11/h7-8,10-11,18H,2-3,5-6,9H2,(H,17,19)
InChIKeyBCLDGOOTFYDZOE-UHFFFAOYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.30
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

N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanecarboxamide
CID 104780520
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]cycloheptanecarboxamide
CID 104780496
methyl N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]carbamate
CID 104780900
N-[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide
CID 60803530
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]oxane-3-carboxamide
CID 104780879
N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]oxane-3-carboxamide
CID 63333873
N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]-2-methoxyacetamide
CID 104780644
N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107181364
N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopropanecarboxamide
CID 81263993
N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]pyrimidine-5-carboxamide
CID 102922448
N-[3-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-5-methyloxolane-2-carboxamide
CID 81330161
N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]ethanesulfonamide
CID 104780935

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide (CID 104780641) is N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide is O=C(Nc1ccc(F)c(C#CCCO)c1)C1CCC1.
What is the InChIKey of N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide?
The InChIKey is BCLDGOOTFYDZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-14-8-7-13(10-12(14)4-1-2-9-18)17-15(19)11-5-3-6-11/h7-8,10-11,18H,2-3,5-6,9H2,(H,17,19).
What are the key properties of N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide?
N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(4-hydroxybut-1-ynyl)phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 104780641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).