N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide

C15H19FN2O2 — CID 82949591

IUPACN-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide
SMILESCC(CN(C)C)NC(=O)c1cc(C#CCO)ccc1F
InChIInChI=1S/C15H19FN2O2/c1-11(10-18(2)3)17-15(20)13-9-12(5-4-8-19)6-7-14(13)16/h6-7,9,11,19H,8,10H2,1-3H3,(H,17,20)
InChIKeyPVBPSUAILZBGEU-UHFFFAOYSA-N
MW278.33 g/mol
LogP0.85
Rot. Bonds4

About N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide

N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide (PubChem CID 82949591) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide
PubChem CID82949591
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide
SMILESCC(CN(C)C)NC(=O)c1cc(C#CCO)ccc1F
InChIInChI=1S/C15H19FN2O2/c1-11(10-18(2)3)17-15(20)13-9-12(5-4-8-19)6-7-14(13)16/h6-7,9,11,19H,8,10H2,1-3H3,(H,17,20)
InChIKeyPVBPSUAILZBGEU-UHFFFAOYSA-N
XLogP0.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.85
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-[1-(dimethylamino)propan-2-yl]-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 82950139
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-methylbenzamide
CID 82946219
N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 61466262
N-butan-2-yl-2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 54921765
N-butan-2-yl-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
CID 65311364
5-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 61466175
2-[1-(dimethylamino)propan-2-ylcarbamoyl]-4,5-difluorobenzoic acid
CID 82945428
2-fluoro-5-(4-hydroxybut-1-ynyl)-N-pentan-3-ylbenzamide
CID 60815505
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-methyl-N-propylbenzamide
CID 54921810
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(3-methoxypropyl)benzamide
CID 60820953
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(2-methylphenyl)benzamide
CID 60815663
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 60820829

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide (CID 82949591) is N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide is CC(CN(C)C)NC(=O)c1cc(C#CCO)ccc1F.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide?
The InChIKey is PVBPSUAILZBGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-11(10-18(2)3)17-15(20)13-9-12(5-4-8-19)6-7-14(13)16/h6-7,9,11,19H,8,10H2,1-3H3,(H,17,20).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide?
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide has a molecular weight of 278.33 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-2-fluoro-5-(3-hydroxyprop-1-ynyl)benzamide is sourced from PubChem (CID 82949591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).