5-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide

C16H21FN2O2 — CID 79376979

IUPAC5-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(C#CCN)ccc1F
InChIInChI=1S/C16H21FN2O2/c1-4-19(11-16(2,3)21)15(20)13-10-12(6-5-9-18)7-8-14(13)17/h7-8,10,21H,4,9,11,18H2,1-3H3
InChIKeyTVEYJEABAFYDLC-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.37
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide

5-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide (PubChem CID 79376979) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
PubChem CID79376979
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name5-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(C#CCN)ccc1F
InChIInChI=1S/C16H21FN2O2/c1-4-19(11-16(2,3)21)15(20)13-10-12(6-5-9-18)7-8-14(13)17/h7-8,10,21H,4,9,11,18H2,1-3H3
InChIKeyTVEYJEABAFYDLC-UHFFFAOYSA-N
XLogP1.37
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.37
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-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide
CID 79381420
5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79381321
N-ethyl-2-fluoro-N-(2-hydroxyethyl)-5-(3-hydroxyprop-1-ynyl)benzamide
CID 54880306
5-(3-aminoprop-1-ynyl)-2-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 115986909
4-(3-aminoprop-1-ynyl)-N-butyl-N-ethyl-2-fluorobenzamide
CID 60821117
4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79380808
4-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-methylbenzamide
CID 60821854
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N,N-dipropylbenzamide
CID 60816909
5-(3-aminoprop-1-ynyl)-N-butyl-2-fluorobenzamide
CID 60821115
N-ethyl-2,3,4,5-tetrafluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79380809
5-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethyl-2-methylbenzamide
CID 65310599
5-(3-aminoprop-1-ynyl)-N-ethyl-2-methyl-N-(2-methylbutyl)benzamide
CID 79482914

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide (CID 79376979) is 5-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide is CCN(CC(C)(C)O)C(=O)c1cc(C#CCN)ccc1F.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The InChIKey is TVEYJEABAFYDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-4-19(11-16(2,3)21)15(20)13-10-12(6-5-9-18)7-8-14(13)17/h7-8,10,21H,4,9,11,18H2,1-3H3.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
5-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide has a molecular weight of 292.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 79376979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).