2,6-difluoro-N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide

C23H23F2N3O3 — CID 20925978

IUPAC2,6-difluoro-N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
SMILESCCCN1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C23H23F2N3O3/c1-2-10-27-11-13-28(14-12-27)23(30)21-20(15-6-3-4-9-18(15)31-21)26-22(29)19-16(24)7-5-8-17(19)25/h3-9H,2,10-14H2,1H3,(H,26,29)
InChIKeyZMDPHDSCCAYSTK-UHFFFAOYSA-N
MW427.45 g/mol
LogP4.13
Rot. Bonds5

About 2,6-difluoro-N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide

2,6-difluoro-N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide (PubChem CID 20925978) has the molecular formula C23H23F2N3O3 and a molecular weight of 427.45 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
PubChem CID20925978
Molecular FormulaC23H23F2N3O3
Molecular Weight427.45 g/mol
Exact Mass427.17
IUPAC Name2,6-difluoro-N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
SMILESCCCN1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C23H23F2N3O3/c1-2-10-27-11-13-28(14-12-27)23(30)21-20(15-6-3-4-9-18(15)31-21)26-22(29)19-16(24)7-5-8-17(19)25/h3-9H,2,10-14H2,1H3,(H,26,29)
InChIKeyZMDPHDSCCAYSTK-UHFFFAOYSA-N
XLogP4.13
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]cyclopentanecarboxamide
CID 20925750
2-fluoro-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926229
2-(4-fluorophenyl)-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 20925810
3-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20925795
3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926283
2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide
CID 46615853
4-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7614430
N-[2-(4-benzylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 22510952
2,4-difluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7638212
4-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926026
3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926069
N-[2-[4-[3-ethoxypropyl(methyl)amino]piperidine-1-carbonyl]-1-benzofuran-3-yl]-2-fluorobenzamide
CID 20925789

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide (CID 20925978) is 2,6-difluoro-N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide is CCCN1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of 2,6-difluoro-N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The InChIKey is ZMDPHDSCCAYSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O3/c1-2-10-27-11-13-28(14-12-27)23(30)21-20(15-6-3-4-9-18(15)31-21)26-22(29)19-16(24)7-5-8-17(19)25/h3-9H,2,10-14H2,1H3,(H,26,29).
What are the key properties of 2,6-difluoro-N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
2,6-difluoro-N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide has a molecular weight of 427.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(4-propylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 20925978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).