N-ethyl-5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide

C15H18FNO3 — CID 115771204

IUPACN-ethyl-5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CCCO)C(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C15H18FNO3/c1-3-17(7-4-8-18)15(19)14-10(2)12-9-11(16)5-6-13(12)20-14/h5-6,9,18H,3-4,7-8H2,1-2H3
InChIKeyKEPHEECMALTQMZ-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.72
Rot. Bonds5

About N-ethyl-5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide

N-ethyl-5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 115771204) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-ethyl-5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID115771204
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC NameN-ethyl-5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCN(CCCO)C(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C15H18FNO3/c1-3-17(7-4-8-18)15(19)14-10(2)12-9-11(16)5-6-13(12)20-14/h5-6,9,18H,3-4,7-8H2,1-2H3
InChIKeyKEPHEECMALTQMZ-UHFFFAOYSA-N
XLogP2.72
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 61383254
N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide
CID 113339465
5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 115869516
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241803
2-amino-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 113468555
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one
CID 107891205
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetic acid
CID 60831048
N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18169026
N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 65112503
ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 47257353
(2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723135
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylprop-2-en-1-one
CID 105112935

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-ethyl-5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide (CID 115771204) is N-ethyl-5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-ethyl-5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-ethyl-5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide is CCN(CCCO)C(=O)c1oc2ccc(F)cc2c1C.
What is the InChIKey of N-ethyl-5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is KEPHEECMALTQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-3-17(7-4-8-18)15(19)14-10(2)12-9-11(16)5-6-13(12)20-14/h5-6,9,18H,3-4,7-8H2,1-2H3.
What are the key properties of N-ethyl-5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide?
N-ethyl-5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 115771204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).