N-[2-(chloromethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-carboxamide

C15H18ClNO2 — CID 114179381

IUPACN-[2-(chloromethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESO=C(NC1CCCC1CCl)c1ccc2c(c1)COC2
InChIInChI=1S/C15H18ClNO2/c16-7-11-2-1-3-14(11)17-15(18)10-4-5-12-8-19-9-13(12)6-10/h4-6,11,14H,1-3,7-9H2,(H,17,18)
InChIKeyNXLNCOICWIVBOM-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.85
Rot. Bonds3

About N-[2-(chloromethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-carboxamide

N-[2-(chloromethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 114179381) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID114179381
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESO=C(NC1CCCC1CCl)c1ccc2c(c1)COC2
InChIInChI=1S/C15H18ClNO2/c16-7-11-2-1-3-14(11)17-15(18)10-4-5-12-8-19-9-13(12)6-10/h4-6,11,14H,1-3,7-9H2,(H,17,18)
InChIKeyNXLNCOICWIVBOM-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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

3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106366901
N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106365726
3,5-dichloro-N-[2-(chloromethyl)cyclopentyl]benzamide
CID 106366031
N-[2-(chloromethyl)cyclohexyl]-4-fluorobenzamide
CID 114179591
N-[2-(chloromethyl)cyclopentyl]-3-fluoro-4-methoxybenzamide
CID 106366034
N-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide
CID 114179364
N-[2-(chloromethyl)cyclopentyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 106365913
N-[2-(chloromethyl)cyclopentyl]-4-methyl-3-nitrobenzamide
CID 106365876
N-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide
CID 106365883
N-[2-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
CID 106366906
N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide
CID 114179554
N-(4-methylpiperidin-3-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 55231266

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-carboxamide (CID 114179381) is N-[2-(chloromethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-carboxamide is O=C(NC1CCCC1CCl)c1ccc2c(c1)COC2.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is NXLNCOICWIVBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c16-7-11-2-1-3-14(11)17-15(18)10-4-5-12-8-19-9-13(12)6-10/h4-6,11,14H,1-3,7-9H2,(H,17,18).
What are the key properties of N-[2-(chloromethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
N-[2-(chloromethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 279.77 g/mol, XLogP of 2.85, 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]-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 114179381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).