N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide

C15H17FN2O3 — CID 61466262

IUPACN-[1-(dimethylamino)-1-oxopropan-2-yl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESCC(NC(=O)c1ccc(C#CCO)cc1F)C(=O)N(C)C
InChIInChI=1S/C15H17FN2O3/c1-10(15(21)18(2)3)17-14(20)12-7-6-11(5-4-8-19)9-13(12)16/h6-7,9-10,19H,8H2,1-3H3,(H,17,20)
InChIKeyVIXONDIXIBJRCF-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.38
Rot. Bonds3

About N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide

N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 61466262) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID61466262
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
SMILESCC(NC(=O)c1ccc(C#CCO)cc1F)C(=O)N(C)C
InChIInChI=1S/C15H17FN2O3/c1-10(15(21)18(2)3)17-14(20)12-7-6-11(5-4-8-19)9-13(12)16/h6-7,9-10,19H,8H2,1-3H3,(H,17,20)
InChIKeyVIXONDIXIBJRCF-UHFFFAOYSA-N
XLogP0.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.38
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

5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 61466175
N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 61466173
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide
CID 82949591
2-fluoro-4-(4-hydroxybut-1-ynyl)-N-propan-2-ylbenzamide
CID 60816110
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-propylbenzamide
CID 60816257
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pentylbenzamide
CID 60817068
N-[2-(carbamoylamino)ethyl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 83114949
N-(cyclobutylmethyl)-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60816128
N-benzyl-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60817211
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-[2-(methanesulfonamido)ethyl]benzamide
CID 60821598
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-pyridazin-3-ylbenzamide
CID 116787533
3-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]benzamide
CID 61466129

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide (CID 61466262) is N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide is CC(NC(=O)c1ccc(C#CCO)cc1F)C(=O)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is VIXONDIXIBJRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-10(15(21)18(2)3)17-14(20)12-7-6-11(5-4-8-19)9-13(12)16/h6-7,9-10,19H,8H2,1-3H3,(H,17,20).
What are the key properties of N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide?
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 292.31 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 61466262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).