trans-(1S,3S)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide

C15H20F2N2O — CID 124515814

IUPACtrans-(1S,3S)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
SMILESC[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@H]1CC[C@H](N)C1
InChIInChI=1S/C15H20F2N2O/c1-9(13-8-11(16)4-6-14(13)17)19(2)15(20)10-3-5-12(18)7-10/h4,6,8-10,12H,3,5,7,18H2,1-2H3/t9-,10+,12+/m1/s1
InChIKeyPZBZUIKGUJWUQW-SCVCMEIPSA-N
MW282.33 g/mol
LogP2.61
Rot. Bonds3

About trans-(1S,3S)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide

trans-(1S,3S)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 124515814) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is trans-(1S,3S)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3S)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
PubChem CID124515814
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Nametrans-(1S,3S)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
SMILESC[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@H]1CC[C@H](N)C1
InChIInChI=1S/C15H20F2N2O/c1-9(13-8-11(16)4-6-14(13)17)19(2)15(20)10-3-5-12(18)7-10/h4,6,8-10,12H,3,5,7,18H2,1-2H3/t9-,10+,12+/m1/s1
InChIKeyPZBZUIKGUJWUQW-SCVCMEIPSA-N
XLogP2.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1S,3S)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide with MolForge

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Related Compounds

cis-(1S,3R)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 124678581
cis-(1S,3R)-3-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 129466151
N-[1-(2,5-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62726518
N-[1-(2,5-difluorophenyl)ethyl]-N-methylazepane-2-carboxamide
CID 64562272
3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119717417
3-amino-N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]cyclopentane-1-carboxamide
CID 119818177
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119717502
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide
CID 60939297
4-amino-N-(2,4-difluorophenyl)-N-methylcyclohexane-1-carboxamide
CID 115150554
2,2,2-trifluoroethyl N-[1-(2,5-difluorophenyl)ethyl]-N-methylcarbamate
CID 61067667
3-amino-N-[(2-chlorophenyl)-(2,5-difluorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119806095
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-(methylamino)propanamide
CID 62637683

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of trans-(1S,3S)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide (CID 124515814) is trans-(1S,3S)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1S,3S)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for trans-(1S,3S)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide is C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@H]1CC[C@H](N)C1.
What is the InChIKey of trans-(1S,3S)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is PZBZUIKGUJWUQW-SCVCMEIPSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-9(13-8-11(16)4-6-14(13)17)19(2)15(20)10-3-5-12(18)7-10/h4,6,8-10,12H,3,5,7,18H2,1-2H3/t9-,10+,12+/m1/s1.
What are the key properties of trans-(1S,3S)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide?
trans-(1S,3S)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-amino-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 124515814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).