N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-7-oxaspiro[3.5]nonane-2-carboxamide

C19H22FNO3 — CID 166245378

IUPACN-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-7-oxaspiro[3.5]nonane-2-carboxamide
SMILESCC(NC(=O)C1CC2(CCOCC2)C1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C19H22FNO3/c1-12(17-9-13-8-15(20)2-3-16(13)24-17)21-18(22)14-10-19(11-14)4-6-23-7-5-19/h2-3,8-9,12,14H,4-7,10-11H2,1H3,(H,21,22)
InChIKeyRKGOTZQZIWEGQV-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.96
Rot. Bonds3

About N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-7-oxaspiro[3.5]nonane-2-carboxamide

N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-7-oxaspiro[3.5]nonane-2-carboxamide (PubChem CID 166245378) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-7-oxaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-7-oxaspiro[3.5]nonane-2-carboxamide
PubChem CID166245378
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC NameN-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-7-oxaspiro[3.5]nonane-2-carboxamide
SMILESCC(NC(=O)C1CC2(CCOCC2)C1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C19H22FNO3/c1-12(17-9-13-8-15(20)2-3-16(13)24-17)21-18(22)14-10-19(11-14)4-6-23-7-5-19/h2-3,8-9,12,14H,4-7,10-11H2,1H3,(H,21,22)
InChIKeyRKGOTZQZIWEGQV-UHFFFAOYSA-N
XLogP3.96
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-7-oxaspiro[3.5]nonane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-[(1R)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 135378033
N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide
CID 146127773
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(1S)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]cyclopropane-1-carboxamide
CID 135378281
trans-(1R,2R)-N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-2-imidazo[1,5-a]pyridin-3-ylcyclopropane-1-carboxamide
CID 135378113
1-[(1S)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 100700326
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
CID 9366149
1-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 119035185
(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 107005479
[(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 107005864
1-(4,4-difluorocyclohexyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105185874
(3R)-N-[(1S)-1-(5-chloro-1-benzofuran-2-yl)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 51592258
N-[(1S)-1-(5-chloro-1-benzofuran-2-yl)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 51592266

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-7-oxaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-7-oxaspiro[3.5]nonane-2-carboxamide (CID 166245378) is N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-7-oxaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-7-oxaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-7-oxaspiro[3.5]nonane-2-carboxamide is CC(NC(=O)C1CC2(CCOCC2)C1)c1cc2cc(F)ccc2o1.
What is the InChIKey of N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-7-oxaspiro[3.5]nonane-2-carboxamide?
The InChIKey is RKGOTZQZIWEGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-12(17-9-13-8-15(20)2-3-16(13)24-17)21-18(22)14-10-19(11-14)4-6-23-7-5-19/h2-3,8-9,12,14H,4-7,10-11H2,1H3,(H,21,22).
What are the key properties of N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-7-oxaspiro[3.5]nonane-2-carboxamide?
N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-7-oxaspiro[3.5]nonane-2-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]-7-oxaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 166245378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).