3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide

C17H25F2N3O — CID 119889376

IUPAC3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide
SMILESCN(C)C(CNC(=O)C1CCCC(N)C1)c1c(F)cccc1F
InChIInChI=1S/C17H25F2N3O/c1-22(2)15(16-13(18)7-4-8-14(16)19)10-21-17(23)11-5-3-6-12(20)9-11/h4,7-8,11-12,15H,3,5-6,9-10,20H2,1-2H3,(H,21,23)
InChIKeySGQXXXZABBMKKK-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.20
Rot. Bonds5

About 3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide

3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide (PubChem CID 119889376) has the molecular formula C17H25F2N3O and a molecular weight of 325.40 g/mol. Its IUPAC name is 3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide
PubChem CID119889376
Molecular FormulaC17H25F2N3O
Molecular Weight325.40 g/mol
Exact Mass325.20
IUPAC Name3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide
SMILESCN(C)C(CNC(=O)C1CCCC(N)C1)c1c(F)cccc1F
InChIInChI=1S/C17H25F2N3O/c1-22(2)15(16-13(18)7-4-8-14(16)19)10-21-17(23)11-5-3-6-12(20)9-11/h4,7-8,11-12,15H,3,5-6,9-10,20H2,1-2H3,(H,21,23)
InChIKeySGQXXXZABBMKKK-UHFFFAOYSA-N
XLogP2.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 95345765
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
CID 63046098
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828747
3-amino-N-[2-(2-fluorophenoxy)butyl]cyclohexane-1-carboxamide;hydrochloride
CID 119813328
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]cyclopentanecarboxamide
CID 43020482
3-amino-N-[2-(4-methylphenyl)propyl]cyclohexane-1-carboxamide
CID 119795763
3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119722765
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 111451652
3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide
CID 119821976
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
(3-aminocyclohexyl)-(2,6-difluorophenyl)methanone
CID 116568844
3-amino-N-[2-(diethylamino)-2-phenylethyl]cyclopentane-1-carboxamide
CID 119399183

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide (CID 119889376) is 3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide is CN(C)C(CNC(=O)C1CCCC(N)C1)c1c(F)cccc1F.
What is the InChIKey of 3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide?
The InChIKey is SGQXXXZABBMKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O/c1-22(2)15(16-13(18)7-4-8-14(16)19)10-21-17(23)11-5-3-6-12(20)9-11/h4,7-8,11-12,15H,3,5-6,9-10,20H2,1-2H3,(H,21,23).
What are the key properties of 3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide?
3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide has a molecular weight of 325.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119889376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).