N-[(3-chlorocyclopentyl)methyl]-1-benzofuran-3-carboxamide

C15H16ClNO2 — CID 114147037

IUPACN-[(3-chlorocyclopentyl)methyl]-1-benzofuran-3-carboxamide
SMILESO=C(NCC1CCC(Cl)C1)c1coc2ccccc12
InChIInChI=1S/C15H16ClNO2/c16-11-6-5-10(7-11)8-17-15(18)13-9-19-14-4-2-1-3-12(13)14/h1-4,9-11H,5-8H2,(H,17,18)
InChIKeyUIAFSSSQRPESRB-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.57
Rot. Bonds3

About N-[(3-chlorocyclopentyl)methyl]-1-benzofuran-3-carboxamide

N-[(3-chlorocyclopentyl)methyl]-1-benzofuran-3-carboxamide (PubChem CID 114147037) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-1-benzofuran-3-carboxamide
PubChem CID114147037
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-1-benzofuran-3-carboxamide
SMILESO=C(NCC1CCC(Cl)C1)c1coc2ccccc12
InChIInChI=1S/C15H16ClNO2/c16-11-6-5-10(7-11)8-17-15(18)13-9-19-14-4-2-1-3-12(13)14/h1-4,9-11H,5-8H2,(H,17,18)
InChIKeyUIAFSSSQRPESRB-UHFFFAOYSA-N
XLogP3.57
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-chlorocyclopentyl)methyl]-1-benzofuran-3-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

N-[(3-hydroxycyclopentyl)methyl]-1-benzofuran-3-carboxamide
CID 103279843
N-[(3-chlorocyclopentyl)methyl]naphthalene-1-carboxamide
CID 106126223
2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-1-benzofuran-3-carboxamide
CID 126768915
N-[(3-chlorocyclopentyl)methyl]-2-methylsulfanylbenzamide
CID 106127010
5-bromo-2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126328
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
CID 115456089
2-chloro-N-[(3-chlorocyclopentyl)methyl]-6-fluorobenzamide
CID 114147100
N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 106126364
N-phenacyl-1-benzofuran-3-carboxamide
CID 64991447
N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide
CID 99646947
N-[(3-chlorocyclopentyl)methyl]-2,5-difluorobenzamide
CID 106126996

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-1-benzofuran-3-carboxamide (CID 114147037) is N-[(3-chlorocyclopentyl)methyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-1-benzofuran-3-carboxamide is O=C(NCC1CCC(Cl)C1)c1coc2ccccc12.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-1-benzofuran-3-carboxamide?
The InChIKey is UIAFSSSQRPESRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-11-6-5-10(7-11)8-17-15(18)13-9-19-14-4-2-1-3-12(13)14/h1-4,9-11H,5-8H2,(H,17,18).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-1-benzofuran-3-carboxamide?
N-[(3-chlorocyclopentyl)methyl]-1-benzofuran-3-carboxamide has a molecular weight of 277.75 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 114147037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).