2-(6-fluoro-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

C21H27FN2O3 — CID 139006350

IUPAC2-(6-fluoro-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESO=C(Cc1coc2cc(F)ccc12)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C21H27FN2O3/c22-17-4-5-18-16(14-27-19(18)13-17)12-20(25)23-15-21(6-2-1-3-7-21)24-8-10-26-11-9-24/h4-5,13-14H,1-3,6-12,15H2,(H,23,25)
InChIKeyPQJGAFCCLJMJKJ-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.27
Rot. Bonds5

About 2-(6-fluoro-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

2-(6-fluoro-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 139006350) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-(6-fluoro-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-fluoro-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
PubChem CID139006350
Molecular FormulaC21H27FN2O3
Molecular Weight374.46 g/mol
Exact Mass374.20
IUPAC Name2-(6-fluoro-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
SMILESO=C(Cc1coc2cc(F)ccc12)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C21H27FN2O3/c22-17-4-5-18-16(14-27-19(18)13-17)12-20(25)23-15-21(6-2-1-3-7-21)24-8-10-26-11-9-24/h4-5,13-14H,1-3,6-12,15H2,(H,23,25)
InChIKeyPQJGAFCCLJMJKJ-UHFFFAOYSA-N
XLogP3.27
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 39430568
3-fluoro-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide
CID 78784195
2-(3,4-dichlorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2542286
2-(4-fluorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide
CID 51330819
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 55530260
3-fluoro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028737
5-chloro-2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150722
2-(4-fluorobenzoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 39430130
2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide;hydrochloride
CID 20995028
2-[(4-ethylphenyl)methyl-methylamino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 18087679
N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzothiophene-2-carboxamide
CID 46512703
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(6-fluoro-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide (CID 139006350) is 2-(6-fluoro-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(6-fluoro-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(6-fluoro-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is O=C(Cc1coc2cc(F)ccc12)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 2-(6-fluoro-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
The InChIKey is PQJGAFCCLJMJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3/c22-17-4-5-18-16(14-27-19(18)13-17)12-20(25)23-15-21(6-2-1-3-7-21)24-8-10-26-11-9-24/h4-5,13-14H,1-3,6-12,15H2,(H,23,25).
What are the key properties of 2-(6-fluoro-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide?
2-(6-fluoro-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 374.46 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 139006350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).