N'-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-N-methylpentanediamide

C16H19ClN2O3 — CID 86803113

IUPACN'-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-N-methylpentanediamide
SMILESCNC(=O)CCCC(=O)NC(C)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H19ClN2O3/c1-10(19-16(21)5-3-4-15(20)18-2)14-9-11-8-12(17)6-7-13(11)22-14/h6-10H,3-5H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAIBHIWGNJYSQIV-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.18
Rot. Bonds6

About N'-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-N-methylpentanediamide

N'-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-N-methylpentanediamide (PubChem CID 86803113) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is N'-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-N-methylpentanediamide.

Molecular Properties

Compound NameN'-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-N-methylpentanediamide
PubChem CID86803113
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC NameN'-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-N-methylpentanediamide
SMILESCNC(=O)CCCC(=O)NC(C)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H19ClN2O3/c1-10(19-16(21)5-3-4-15(20)18-2)14-9-11-8-12(17)6-7-13(11)22-14/h6-10H,3-5H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyAIBHIWGNJYSQIV-UHFFFAOYSA-N
XLogP3.18
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-N-methylpentanediamide 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-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 46969665
1-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111435193
N-[(1S)-1-(5-chloro-1-benzofuran-2-yl)ethyl]-3-[(1S,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]propanamide
CID 124828131
3-[(3aR,6aS)-2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl]-N-[(1S)-1-(5-chloro-1-benzofuran-2-yl)ethyl]propanamide
CID 51872981
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide
CID 43708933
3-[(1S)-1-(5-chloro-1-benzofuran-2-yl)ethyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 97223768
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(4-chlorophenyl)sulfonylpropanamide
CID 9366357
N-[(1S)-1-(5-chloro-1-benzofuran-2-yl)ethyl]-4-methylthiadiazole-5-carboxamide
CID 100678074
(2S)-N-[(1R)-1-(5-chloro-1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide
CID 96523126
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,5-dichlorophenoxy)acetamide
CID 8578495
(1R,2R,4R)-N-[(1S)-1-(5-chloro-1-benzofuran-2-yl)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 51592300

Frequently Asked Questions

What is the IUPAC name of N'-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-N-methylpentanediamide?
The IUPAC name of N'-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-N-methylpentanediamide (CID 86803113) is N'-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-N-methylpentanediamide.
What is the SMILES notation for N'-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-N-methylpentanediamide?
The canonical SMILES for N'-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-N-methylpentanediamide is CNC(=O)CCCC(=O)NC(C)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of N'-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-N-methylpentanediamide?
The InChIKey is AIBHIWGNJYSQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-10(19-16(21)5-3-4-15(20)18-2)14-9-11-8-12(17)6-7-13(11)22-14/h6-10H,3-5H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-N-methylpentanediamide?
N'-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-N-methylpentanediamide has a molecular weight of 322.79 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-N-methylpentanediamide is sourced from PubChem (CID 86803113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).