N-[2-(dimethylamino)ethyl]-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide

C16H21FN2O2 — CID 63699667

IUPACN-[2-(dimethylamino)ethyl]-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1ccc(F)cc1C#CCCO
InChIInChI=1S/C16H21FN2O2/c1-18(2)9-10-19(3)16(21)15-8-7-14(17)12-13(15)6-4-5-11-20/h7-8,12,20H,5,9-11H2,1-3H3
InChIKeyVVOCBLJIJFADCG-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.19
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide

N-[2-(dimethylamino)ethyl]-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide (PubChem CID 63699667) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide
PubChem CID63699667
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC NameN-[2-(dimethylamino)ethyl]-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide
SMILESCN(C)CCN(C)C(=O)c1ccc(F)cc1C#CCCO
InChIInChI=1S/C16H21FN2O2/c1-18(2)9-10-19(3)16(21)15-8-7-14(17)12-13(15)6-4-5-11-20/h7-8,12,20H,5,9-11H2,1-3H3
InChIKeyVVOCBLJIJFADCG-UHFFFAOYSA-N
XLogP1.19
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-methoxyethyl)-N-methylbenzamide
CID 61428502
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 63858718
N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide
CID 60820831
N-[2-(dimethylamino)ethyl]-5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 63699841
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61455637
N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide
CID 60821326
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
CID 82729493
N-[2-(dimethylamino)ethyl]-3-(4-hydroxybut-1-ynyl)-N,4-dimethylbenzamide
CID 81459793
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-(2,2-dimethylbutyl)-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 103463889

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide (CID 63699667) is N-[2-(dimethylamino)ethyl]-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide is CN(C)CCN(C)C(=O)c1ccc(F)cc1C#CCCO.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide?
The InChIKey is VVOCBLJIJFADCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-18(2)9-10-19(3)16(21)15-8-7-14(17)12-13(15)6-4-5-11-20/h7-8,12,20H,5,9-11H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide?
N-[2-(dimethylamino)ethyl]-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide has a molecular weight of 292.35 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide is sourced from PubChem (CID 63699667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).