N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide

C18H24ClN3O2 — CID 46969665

IUPACN-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCC(NC(=O)CCN1CCN(C)CC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C18H24ClN3O2/c1-13(17-12-14-11-15(19)3-4-16(14)24-17)20-18(23)5-6-22-9-7-21(2)8-10-22/h3-4,11-13H,5-10H2,1-2H3,(H,20,23)
InChIKeyAZVBKEOYZLCXOU-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.90
Rot. Bonds5

About N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide

N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 46969665) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID46969665
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC NameN-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCC(NC(=O)CCN1CCN(C)CC1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C18H24ClN3O2/c1-13(17-12-14-11-15(19)3-4-16(14)24-17)20-18(23)5-6-22-9-7-21(2)8-10-22/h3-4,11-13H,5-10H2,1-2H3,(H,20,23)
InChIKeyAZVBKEOYZLCXOU-UHFFFAOYSA-N
XLogP2.90
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-N-methylpentanediamide
CID 86803113
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-[(1S)-1-(5-chloro-1-benzofuran-2-yl)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 51592266
(3R)-N-[(1S)-1-(5-chloro-1-benzofuran-2-yl)ethyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 51592258
(2S)-N-[(1R)-1-(5-chloro-1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)morpholine-4-carboxamide
CID 96523126
1-[3-[[(1S)-1-(5-chloro-1-benzofuran-2-yl)ethyl]amino]propyl]piperidin-4-ol
CID 97336129
1-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111435193
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-(1,3-dioxo-4H-isoquinolin-2-yl)propanamide
CID 9369100
N-[(1S)-1-(5-chloro-1-benzofuran-2-yl)ethyl]-4-methylthiadiazole-5-carboxamide
CID 100678074
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 26238936

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide (CID 46969665) is N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide is CC(NC(=O)CCN1CCN(C)CC1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is AZVBKEOYZLCXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-13(17-12-14-11-15(19)3-4-16(14)24-17)20-18(23)5-6-22-9-7-21(2)8-10-22/h3-4,11-13H,5-10H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide?
N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 349.86 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-1-benzofuran-2-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 46969665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).