N-(3-ethylpent-1-yn-3-yl)-3-fluoro-4-methoxybenzamide

C15H18FNO2 — CID 18165932

IUPACN-(3-ethylpent-1-yn-3-yl)-3-fluoro-4-methoxybenzamide
SMILESC#CC(CC)(CC)NC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H18FNO2/c1-5-15(6-2,7-3)17-14(18)11-8-9-13(19-4)12(16)10-11/h1,8-10H,6-7H2,2-4H3,(H,17,18)
InChIKeyKIFNDYDJOIWVNR-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.76
Rot. Bonds5

About N-(3-ethylpent-1-yn-3-yl)-3-fluoro-4-methoxybenzamide

N-(3-ethylpent-1-yn-3-yl)-3-fluoro-4-methoxybenzamide (PubChem CID 18165932) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-(3-ethylpent-1-yn-3-yl)-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-ethylpent-1-yn-3-yl)-3-fluoro-4-methoxybenzamide
PubChem CID18165932
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC NameN-(3-ethylpent-1-yn-3-yl)-3-fluoro-4-methoxybenzamide
SMILESC#CC(CC)(CC)NC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H18FNO2/c1-5-15(6-2,7-3)17-14(18)11-8-9-13(19-4)12(16)10-11/h1,8-10H,6-7H2,2-4H3,(H,17,18)
InChIKeyKIFNDYDJOIWVNR-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-fluoro-4-methoxybenzamide
CID 62919550
3-fluoro-4-methoxy-N-pent-1-yn-3-ylbenzamide
CID 103579091
N-(3-cyanopentan-3-yl)-3,4-dimethoxybenzamide
CID 61119027
N-(3-ethylpent-1-yn-3-yl)-4-(methoxymethyl)benzamide
CID 18165913
3-fluoro-N-hex-5-ynyl-4-methoxybenzamide
CID 113256108
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
1-(3-fluoro-4-methoxyphenyl)-2-(prop-2-ynylamino)ethanone
CID 116589430
1-(3,4-dimethoxyphenyl)-3-(3-ethylpent-1-yn-3-yl)urea
CID 6470201
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide
CID 81487072
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
2-(aminomethyl)-2-ethyl-1-(3-fluoro-4-methoxyphenyl)butan-1-one
CID 116603784
3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
CID 3297993

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpent-1-yn-3-yl)-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-(3-ethylpent-1-yn-3-yl)-3-fluoro-4-methoxybenzamide (CID 18165932) is N-(3-ethylpent-1-yn-3-yl)-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(3-ethylpent-1-yn-3-yl)-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(3-ethylpent-1-yn-3-yl)-3-fluoro-4-methoxybenzamide is C#CC(CC)(CC)NC(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of N-(3-ethylpent-1-yn-3-yl)-3-fluoro-4-methoxybenzamide?
The InChIKey is KIFNDYDJOIWVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-5-15(6-2,7-3)17-14(18)11-8-9-13(19-4)12(16)10-11/h1,8-10H,6-7H2,2-4H3,(H,17,18).
What are the key properties of N-(3-ethylpent-1-yn-3-yl)-3-fluoro-4-methoxybenzamide?
N-(3-ethylpent-1-yn-3-yl)-3-fluoro-4-methoxybenzamide has a molecular weight of 263.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpent-1-yn-3-yl)-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 18165932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).