N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide

C16H18FNO3 — CID 102868031

IUPACN-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESO=C(c1ccc(F)cc1C#CCO)N(CCO)C1CCC1
InChIInChI=1S/C16H18FNO3/c17-13-6-7-15(12(11-13)3-2-9-19)16(21)18(8-10-20)14-4-1-5-14/h6-7,11,14,19-20H,1,4-5,8-10H2
InChIKeyDGSJOWCGLVHMRC-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.16
Rot. Bonds4

About N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide

N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 102868031) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID102868031
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC NameN-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide
SMILESO=C(c1ccc(F)cc1C#CCO)N(CCO)C1CCC1
InChIInChI=1S/C16H18FNO3/c17-13-6-7-15(12(11-13)3-2-9-19)16(21)18(8-10-20)14-4-1-5-14/h6-7,11,14,19-20H,1,4-5,8-10H2
InChIKeyDGSJOWCGLVHMRC-UHFFFAOYSA-N
XLogP1.16
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-4-fluoro-N-(2-hydroxyethyl)-2-iodobenzamide
CID 103863295
N-(2,2-difluoroethyl)-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 107483927
N-cyclopentyl-5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 115298997
2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide
CID 102858956
N-cyclobutyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62416791
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62978558
N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide
CID 60820831
[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-pyrrolidin-1-ylmethanone
CID 54921940
N-cyclopentyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide
CID 79749875
N-cyclopropyl-2-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
CID 60816410
N-ethyl-4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)benzamide
CID 60821605
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
CID 64688470

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide (CID 102868031) is N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide is O=C(c1ccc(F)cc1C#CCO)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is DGSJOWCGLVHMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c17-13-6-7-15(12(11-13)3-2-9-19)16(21)18(8-10-20)14-4-1-5-14/h6-7,11,14,19-20H,1,4-5,8-10H2.
What are the key properties of N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide?
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 291.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 102868031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).