N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide

C15H16FNO2 — CID 60820831

IUPACN-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1C#CCCO)C1CC1
InChIInChI=1S/C15H16FNO2/c1-17(13-6-7-13)15(19)14-8-5-12(16)10-11(14)4-2-3-9-18/h5,8,10,13,18H,3,6-7,9H2,1H3
InChIKeyMZYJEYMJAHGSBF-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.79
Rot. Bonds3

About N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide

N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide (PubChem CID 60820831) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide
PubChem CID60820831
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC NameN-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1C#CCCO)C1CC1
InChIInChI=1S/C15H16FNO2/c1-17(13-6-7-13)15(19)14-8-5-12(16)10-11(14)4-2-3-9-18/h5,8,10,13,18H,3,6-7,9H2,1H3
InChIKeyMZYJEYMJAHGSBF-UHFFFAOYSA-N
XLogP1.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
CID 82729493
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 63858718
N-[2-(dimethylamino)ethyl]-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide
CID 63699667
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)-N-methylbenzamide
CID 61428502
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61455637
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 102868031
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-propylbenzamide
CID 60816255
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62978558
N-cyclopropyl-4-fluoro-N,2-dimethylbenzamide
CID 115745650
2-(3-aminoprop-1-ynyl)-N-cyclopentyl-5-fluoro-N-methylbenzamide
CID 60822254
N-butyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 54922080
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentylbenzamide
CID 60817066

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide?
The IUPAC name of N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide (CID 60820831) is N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide is CN(C(=O)c1ccc(F)cc1C#CCCO)C1CC1.
What is the InChIKey of N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide?
The InChIKey is MZYJEYMJAHGSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-17(13-6-7-13)15(19)14-8-5-12(16)10-11(14)4-2-3-9-18/h5,8,10,13,18H,3,6-7,9H2,1H3.
What are the key properties of N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide?
N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide has a molecular weight of 261.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide is sourced from PubChem (CID 60820831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).