N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C21H22FNO2 — CID 91762618

IUPACN-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCC1(c2ccccc2F)CCCC1)C1Cc2ccccc2O1
InChIInChI=1S/C21H22FNO2/c22-17-9-3-2-8-16(17)21(11-5-6-12-21)14-23-20(24)19-13-15-7-1-4-10-18(15)25-19/h1-4,7-10,19H,5-6,11-14H2,(H,23,24)
InChIKeyWYHHGKCFSMMAKJ-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.76
Rot. Bonds4

About N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 91762618) has the molecular formula C21H22FNO2 and a molecular weight of 339.41 g/mol. Its IUPAC name is N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID91762618
Molecular FormulaC21H22FNO2
Molecular Weight339.41 g/mol
Exact Mass339.16
IUPAC NameN-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCC1(c2ccccc2F)CCCC1)C1Cc2ccccc2O1
InChIInChI=1S/C21H22FNO2/c22-17-9-3-2-8-16(17)21(11-5-6-12-21)14-23-20(24)19-13-15-7-1-4-10-18(15)25-19/h1-4,7-10,19H,5-6,11-14H2,(H,23,24)
InChIKeyWYHHGKCFSMMAKJ-UHFFFAOYSA-N
XLogP3.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-phenylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42938379
N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 112522518
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111478299
N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133562
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
(2R)-N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9081021
N-[1-(chloromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 114303404
N-[1-(aminomethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 63754394
5-fluoro-N-[(1-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 111485862
N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60896123
(2R)-N'-(2-fluorobenzoyl)-2,3-dihydro-1-benzofuran-2-carbohydrazide
CID 9084789
(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9082273

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 91762618) is N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCC1(c2ccccc2F)CCCC1)C1Cc2ccccc2O1.
What is the InChIKey of N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is WYHHGKCFSMMAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO2/c22-17-9-3-2-8-16(17)21(11-5-6-12-21)14-23-20(24)19-13-15-7-1-4-10-18(15)25-19/h1-4,7-10,19H,5-6,11-14H2,(H,23,24).
What are the key properties of N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 339.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91762618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).