N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide

C18H22FNO3 — CID 111537749

IUPACN-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESCc1c(C(C)NC(=O)CC2(O)CCCC2)oc2ccc(F)cc12
InChIInChI=1S/C18H22FNO3/c1-11-14-9-13(19)5-6-15(14)23-17(11)12(2)20-16(21)10-18(22)7-3-4-8-18/h5-6,9,12,22H,3-4,7-8,10H2,1-2H3,(H,20,21)
InChIKeySNXSPQHRXUWRPG-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.75
Rot. Bonds4

About N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide

N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide (PubChem CID 111537749) has the molecular formula C18H22FNO3 and a molecular weight of 319.38 g/mol. Its IUPAC name is N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
PubChem CID111537749
Molecular FormulaC18H22FNO3
Molecular Weight319.38 g/mol
Exact Mass319.16
IUPAC NameN-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESCc1c(C(C)NC(=O)CC2(O)CCCC2)oc2ccc(F)cc12
InChIInChI=1S/C18H22FNO3/c1-11-14-9-13(19)5-6-15(14)23-17(11)12(2)20-16(21)10-18(22)7-3-4-8-18/h5-6,9,12,22H,3-4,7-8,10H2,1-2H3,(H,20,21)
InChIKeySNXSPQHRXUWRPG-UHFFFAOYSA-N
XLogP3.75
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]azetidine-1-carboxamide
CID 95333207
3-[[(1S)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]propanamide
CID 95325813
1-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104132
1-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111505700
N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 86878186
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]acetamide
CID 86878943
N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438593
N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-N-[3-(2-methylpropanoylamino)phenyl]oxamide
CID 86881184
1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 86880113
1-(2-aminopyrimidin-5-yl)-3-[(1R)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166531837
N-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111432741
N-(4-ethoxy-2-methylphenyl)-N'-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]oxamide
CID 86881162

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide?
The IUPAC name of N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide (CID 111537749) is N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide.
What is the SMILES notation for N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide?
The canonical SMILES for N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide is Cc1c(C(C)NC(=O)CC2(O)CCCC2)oc2ccc(F)cc12.
What is the InChIKey of N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide?
The InChIKey is SNXSPQHRXUWRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3/c1-11-14-9-13(19)5-6-15(14)23-17(11)12(2)20-16(21)10-18(22)7-3-4-8-18/h5-6,9,12,22H,3-4,7-8,10H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide?
N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide has a molecular weight of 319.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide is sourced from PubChem (CID 111537749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).