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

C15H18ClNO2 — CID 106365967

IUPACN-[2-(chloromethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCCC1CCl)C1Cc2ccccc2O1
InChIInChI=1S/C15H18ClNO2/c16-9-11-5-3-6-12(11)17-15(18)14-8-10-4-1-2-7-13(10)19-14/h1-2,4,7,11-12,14H,3,5-6,8-9H2,(H,17,18)
InChIKeyRCHLYXMXEXWTOJ-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.51
Rot. Bonds3

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

N-[2-(chloromethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 106365967) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID106365967
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCCC1CCl)C1Cc2ccccc2O1
InChIInChI=1S/C15H18ClNO2/c16-9-11-5-3-6-12(11)17-15(18)14-8-10-4-1-2-7-13(10)19-14/h1-2,4,7,11-12,14H,3,5-6,8-9H2,(H,17,18)
InChIKeyRCHLYXMXEXWTOJ-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9082273
3-(2,3-dihydro-1-benzofuran-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032698
N-(2-chloroethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 63391507
N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 103774164
2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone
CID 93494296
2-chloro-1-(2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 45080935
N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 102684830
N-[1-(chloromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 114303404
N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106365726
N-(3-methylpiperidin-4-yl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 120553307
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 136581065
(2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9091701

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 106365967) is N-[2-(chloromethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NC1CCCC1CCl)C1Cc2ccccc2O1.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is RCHLYXMXEXWTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c16-9-11-5-3-6-12(11)17-15(18)14-8-10-4-1-2-7-13(10)19-14/h1-2,4,7,11-12,14H,3,5-6,8-9H2,(H,17,18).
What are the key properties of N-[2-(chloromethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[2-(chloromethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 279.77 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 106365967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).