N-(3-ethylpent-1-yn-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

C17H18FNO2 — CID 18165923

IUPACN-(3-ethylpent-1-yn-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESC#CC(CC)(CC)NC(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C17H18FNO2/c1-5-17(6-2,7-3)19-16(20)15-11(4)13-10-12(18)8-9-14(13)21-15/h1,8-10H,6-7H2,2-4H3,(H,19,20)
InChIKeySRDUSPZHPNPDOZ-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.80
Rot. Bonds4

About N-(3-ethylpent-1-yn-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-(3-ethylpent-1-yn-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 18165923) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is N-(3-ethylpent-1-yn-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethylpent-1-yn-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID18165923
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC NameN-(3-ethylpent-1-yn-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESC#CC(CC)(CC)NC(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C17H18FNO2/c1-5-17(6-2,7-3)19-16(20)15-11(4)13-10-12(18)8-9-14(13)21-15/h1,8-10H,6-7H2,2-4H3,(H,19,20)
InChIKeySRDUSPZHPNPDOZ-UHFFFAOYSA-N
XLogP3.80
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.80
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-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 65112503
N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18169026
ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 47257353
5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79675667
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid
CID 60708400
5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide
CID 17441780
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methylpentanoic acid
CID 119212059
2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242438
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-4,4-dimethylpentan-1-one
CID 105093299
N-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344840
N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344604
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one
CID 107891205

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpent-1-yn-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-ethylpent-1-yn-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 18165923) is N-(3-ethylpent-1-yn-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-ethylpent-1-yn-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-ethylpent-1-yn-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is C#CC(CC)(CC)NC(=O)c1oc2ccc(F)cc2c1C.
What is the InChIKey of N-(3-ethylpent-1-yn-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is SRDUSPZHPNPDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-5-17(6-2,7-3)19-16(20)15-11(4)13-10-12(18)8-9-14(13)21-15/h1,8-10H,6-7H2,2-4H3,(H,19,20).
What are the key properties of N-(3-ethylpent-1-yn-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-(3-ethylpent-1-yn-3-yl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 287.33 g/mol, XLogP of 3.80, 4 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)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18165923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).