N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylacetamide

C18H26F2N2O — CID 53320181

IUPACN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylacetamide
SMILESCCN(C(C)=O)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C18H26F2N2O/c1-3-22(12(2)23)16-7-4-13(5-8-16)18(21)11-14-10-15(19)6-9-17(14)20/h6,9-10,13,16,18H,3-5,7-8,11,21H2,1-2H3/t13?,16?,18-/m1/s1
InChIKeyHBNPZSOWWHBCOH-PVCYVWKFSA-N
MW324.42 g/mol
LogP3.26
Rot. Bonds5

About N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylacetamide

N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylacetamide (PubChem CID 53320181) has the molecular formula C18H26F2N2O and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylacetamide
PubChem CID53320181
Molecular FormulaC18H26F2N2O
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylacetamide
SMILESCCN(C(C)=O)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C18H26F2N2O/c1-3-22(12(2)23)16-7-4-13(5-8-16)18(21)11-14-10-15(19)6-9-17(14)20/h6,9-10,13,16,18H,3-5,7-8,11,21H2,1-2H3/t13?,16?,18-/m1/s1
InChIKeyHBNPZSOWWHBCOH-PVCYVWKFSA-N
XLogP3.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylacetamide?
The IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylacetamide (CID 53320181) is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylacetamide.
What is the SMILES notation for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylacetamide?
The canonical SMILES for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylacetamide is CCN(C(C)=O)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1.
What is the InChIKey of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylacetamide?
The InChIKey is HBNPZSOWWHBCOH-PVCYVWKFSA-N. The full InChI is InChI=1S/C18H26F2N2O/c1-3-22(12(2)23)16-7-4-13(5-8-16)18(21)11-14-10-15(19)6-9-17(14)20/h6,9-10,13,16,18H,3-5,7-8,11,21H2,1-2H3/t13?,16?,18-/m1/s1.
What are the key properties of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylacetamide?
N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylacetamide has a molecular weight of 324.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N-ethylacetamide is sourced from PubChem (CID 53320181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).