2-(1-aminocyclohexyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide

C16H22F2N2O — CID 64684210

IUPAC2-(1-aminocyclohexyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CC1(N)CCCCC1)c1cc(F)ccc1F
InChIInChI=1S/C16H22F2N2O/c1-11(13-9-12(17)5-6-14(13)18)20-15(21)10-16(19)7-3-2-4-8-16/h5-6,9,11H,2-4,7-8,10,19H2,1H3,(H,20,21)
InChIKeyAXYOXPHMSQTBPZ-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.19
Rot. Bonds4

About 2-(1-aminocyclohexyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide

2-(1-aminocyclohexyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide (PubChem CID 64684210) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
PubChem CID64684210
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name2-(1-aminocyclohexyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
SMILESCC(NC(=O)CC1(N)CCCCC1)c1cc(F)ccc1F
InChIInChI=1S/C16H22F2N2O/c1-11(13-9-12(17)5-6-14(13)18)20-15(21)10-16(19)7-3-2-4-8-16/h5-6,9,11H,2-4,7-8,10,19H2,1H3,(H,20,21)
InChIKeyAXYOXPHMSQTBPZ-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclobutyl)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 79853728
2-(1-aminocyclobutyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide
CID 81379814
2-(1-aminocyclopentyl)-N-[1-(2,6-difluorophenyl)ethyl]acetamide
CID 64684072
1-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]cyclobutane-1-carboxamide
CID 115447485
2-(1-aminocyclobutyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide
CID 79853913
N-[1-(2,5-difluorophenyl)ethyl]-4-hydroxypentanamide
CID 79201225
2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
CID 60843573
2-(1-aminocyclohexyl)-N-[1-(3-hydroxyphenyl)ethyl]acetamide
CID 64684603
2-(1-aminocyclopentyl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 64677551
2-(1-aminocyclohexyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 64684580
2-(1-aminocyclohexyl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400282
2-(1-aminocyclopentyl)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 64683625

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide (CID 64684210) is 2-(1-aminocyclohexyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide is CC(NC(=O)CC1(N)CCCCC1)c1cc(F)ccc1F.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide?
The InChIKey is AXYOXPHMSQTBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-11(13-9-12(17)5-6-14(13)18)20-15(21)10-16(19)7-3-2-4-8-16/h5-6,9,11H,2-4,7-8,10,19H2,1H3,(H,20,21).
What are the key properties of 2-(1-aminocyclohexyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide?
2-(1-aminocyclohexyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide has a molecular weight of 296.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-[1-(2,5-difluorophenyl)ethyl]acetamide is sourced from PubChem (CID 64684210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).