2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzamide

C14H17FN2O2 — CID 54922265

IUPAC2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(F)ccc1C#CCN
InChIInChI=1S/C14H17FN2O2/c1-10(9-19-2)17-14(18)13-8-12(15)6-5-11(13)4-3-7-16/h5-6,8,10H,7,9,16H2,1-2H3,(H,17,18)
InChIKeyYNPXTDMORSXOJL-UHFFFAOYSA-N
MW264.30 g/mol
LogP0.90
Rot. Bonds4

About 2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzamide

2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 54922265) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzamide
PubChem CID54922265
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(F)ccc1C#CCN
InChIInChI=1S/C14H17FN2O2/c1-10(9-19-2)17-14(18)13-8-12(15)6-5-11(13)4-3-7-16/h5-6,8,10H,7,9,16H2,1-2H3,(H,17,18)
InChIKeyYNPXTDMORSXOJL-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 50.90
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

2-(3-aminoprop-1-ynyl)-5-fluoro-N-pentan-2-ylbenzamide
CID 60821499
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide
CID 54922036
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82937414
2-(3-aminoprop-1-ynyl)-N-butan-2-yl-4-fluorobenzamide
CID 60821035
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(2-methoxyethyl)-N-methylbenzamide
CID 61428101
2-[[2-(3-aminoprop-1-ynyl)-5-fluorobenzoyl]amino]ethyl carbamate
CID 83203785
N-[1-(dimethylamino)propan-2-yl]-5-fluoro-2-(3-hydroxyprop-1-ynyl)benzamide
CID 82950139
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methylcyclopentyl)benzamide
CID 64688471
2-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-5-fluorobenzamide
CID 60822341
4-(3-aminoprop-1-ynyl)-N-(1-methoxypropan-2-yl)benzamide
CID 60821559
2-(3-aminoprop-1-ynyl)-N-[2-(carbamoylamino)ethyl]-5-fluorobenzamide
CID 83114793
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-aminoprop-1-ynyl)-5-fluorobenzamide
CID 106240734

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzamide (CID 54922265) is 2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzamide is COCC(C)NC(=O)c1cc(F)ccc1C#CCN.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is YNPXTDMORSXOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-10(9-19-2)17-14(18)13-8-12(15)6-5-11(13)4-3-7-16/h5-6,8,10H,7,9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzamide?
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 264.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 54922265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).