N-(2-chloropentyl)-1-benzofuran-3-carboxamide

C14H16ClNO2 — CID 113496475

IUPACN-(2-chloropentyl)-1-benzofuran-3-carboxamide
SMILESCCCC(Cl)CNC(=O)c1coc2ccccc12
InChIInChI=1S/C14H16ClNO2/c1-2-5-10(15)8-16-14(17)12-9-18-13-7-4-3-6-11(12)13/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,16,17)
InChIKeyNPLDCXSTLVJFHJ-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.57
Rot. Bonds5

About N-(2-chloropentyl)-1-benzofuran-3-carboxamide

N-(2-chloropentyl)-1-benzofuran-3-carboxamide (PubChem CID 113496475) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is N-(2-chloropentyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloropentyl)-1-benzofuran-3-carboxamide
PubChem CID113496475
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC NameN-(2-chloropentyl)-1-benzofuran-3-carboxamide
SMILESCCCC(Cl)CNC(=O)c1coc2ccccc12
InChIInChI=1S/C14H16ClNO2/c1-2-5-10(15)8-16-14(17)12-9-18-13-7-4-3-6-11(12)13/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,16,17)
InChIKeyNPLDCXSTLVJFHJ-UHFFFAOYSA-N
XLogP3.57
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
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-(2-chloropentyl)-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-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide
CID 99646947
5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid
CID 82683747
3-(1-benzofuran-3-carbonylamino)-2-hydroxypropanoic acid
CID 66165805
N-(1-aminopentan-2-yl)-1-benzofuran-3-carboxamide
CID 65191381
N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide
CID 103726467
4-(1-benzofuran-3-carbonylamino)-2-methylbutanoic acid
CID 80538669
N-(4-bromopentyl)-1-benzofuran-3-carboxamide
CID 106131215
N-(5-bromo-4-methylpentyl)-1-benzofuran-3-carboxamide
CID 106157815
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxochromene-3-carboxamide
CID 9117714
N-phenacyl-1-benzofuran-3-carboxamide
CID 64991447
N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
CID 79031060
(4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid
CID 95359138

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropentyl)-1-benzofuran-3-carboxamide?
The IUPAC name of N-(2-chloropentyl)-1-benzofuran-3-carboxamide (CID 113496475) is N-(2-chloropentyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(2-chloropentyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(2-chloropentyl)-1-benzofuran-3-carboxamide is CCCC(Cl)CNC(=O)c1coc2ccccc12.
What is the InChIKey of N-(2-chloropentyl)-1-benzofuran-3-carboxamide?
The InChIKey is NPLDCXSTLVJFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-2-5-10(15)8-16-14(17)12-9-18-13-7-4-3-6-11(12)13/h3-4,6-7,9-10H,2,5,8H2,1H3,(H,16,17).
What are the key properties of N-(2-chloropentyl)-1-benzofuran-3-carboxamide?
N-(2-chloropentyl)-1-benzofuran-3-carboxamide has a molecular weight of 265.74 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropentyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 113496475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).