3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide

C15H20F2N2O — CID 63043413

IUPAC3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCCC(N)C1)c1ccc(F)cc1F
InChIInChI=1S/C15H20F2N2O/c1-9(13-6-5-11(16)8-14(13)17)19-15(20)10-3-2-4-12(18)7-10/h5-6,8-10,12H,2-4,7,18H2,1H3,(H,19,20)
InChIKeyDYBZAQYBATUROB-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.66
Rot. Bonds3

About 3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide

3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 63043413) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID63043413
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCCC(N)C1)c1ccc(F)cc1F
InChIInChI=1S/C15H20F2N2O/c1-9(13-6-5-11(16)8-14(13)17)19-15(20)10-3-2-4-12(18)7-10/h5-6,8-10,12H,2-4,7,18H2,1H3,(H,19,20)
InChIKeyDYBZAQYBATUROB-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81349509
3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673269
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119719881
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81350102
3-amino-N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 119785349
trans-(1R,2R)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124834541
3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide
CID 55146164
3-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 63043593
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81365977
N-[1-(2,4-difluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 78982251
3-amino-N-[1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66008581
2-cyclopentyl-N-[1-(2,4-difluorophenyl)ethyl]acetamide
CID 78778579

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide (CID 63043413) is 3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide is CC(NC(=O)C1CCCC(N)C1)c1ccc(F)cc1F.
What is the InChIKey of 3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is DYBZAQYBATUROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-9(13-6-5-11(16)8-14(13)17)19-15(20)10-3-2-4-12(18)7-10/h5-6,8-10,12H,2-4,7,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide?
3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,4-difluorophenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 63043413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).