3-fluoro-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide

C20H28FN3O3 — CID 78784195

IUPAC3-fluoro-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C20H28FN3O3/c21-17-6-4-5-16(13-17)19(26)22-14-18(25)23-15-20(7-2-1-3-8-20)24-9-11-27-12-10-24/h4-6,13H,1-3,7-12,14-15H2,(H,22,26)(H,23,25)
InChIKeyBBLRTNDMPCGSJA-UHFFFAOYSA-N
MW377.46 g/mol
LogP1.71
Rot. Bonds6

About 3-fluoro-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide

3-fluoro-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 78784195) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is 3-fluoro-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide
PubChem CID78784195
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC Name3-fluoro-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(F)c1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C20H28FN3O3/c21-17-6-4-5-16(13-17)19(26)22-14-18(25)23-15-20(7-2-1-3-8-20)24-9-11-27-12-10-24/h4-6,13H,1-3,7-12,14-15H2,(H,22,26)(H,23,25)
InChIKeyBBLRTNDMPCGSJA-UHFFFAOYSA-N
XLogP1.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139028737
3-bromo-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide
CID 18150703
3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505015
3-acetamido-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150674
1-[[[2-[(3-fluorobenzoyl)amino]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120545034
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-pyrrol-1-ylbenzamide
CID 17404060
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 17391709
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-(6-fluoro-1-benzofuran-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 139006350
3-fluoro-N-[2-(9-oxa-6-azaspiro[4.5]decan-6-yl)-2-oxoethyl]benzamide
CID 75519811
2-(2,4-difluorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 39430568

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide (CID 78784195) is 3-fluoro-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1cccc(F)c1)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 3-fluoro-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is BBLRTNDMPCGSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O3/c21-17-6-4-5-16(13-17)19(26)22-14-18(25)23-15-20(7-2-1-3-8-20)24-9-11-27-12-10-24/h4-6,13H,1-3,7-12,14-15H2,(H,22,26)(H,23,25).
What are the key properties of 3-fluoro-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide?
3-fluoro-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 377.46 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 78784195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).