1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentane-1-carboxamide

C15H18F2N2O2 — CID 79644449

IUPAC1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCC(Oc2cccc(F)c2F)C1
InChIInChI=1S/C15H18F2N2O2/c16-11-2-1-3-12(13(11)17)21-10-6-7-15(8-10,14(18)20)19-9-4-5-9/h1-3,9-10,19H,4-8H2,(H2,18,20)
InChIKeyOEBMMHAELGGYLL-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.87
Rot. Bonds5

About 1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentane-1-carboxamide

1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentane-1-carboxamide (PubChem CID 79644449) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentane-1-carboxamide
PubChem CID79644449
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentane-1-carboxamide
SMILESNC(=O)C1(NC2CC2)CCC(Oc2cccc(F)c2F)C1
InChIInChI=1S/C15H18F2N2O2/c16-11-2-1-3-12(13(11)17)21-10-6-7-15(8-10,14(18)20)19-9-4-5-9/h1-3,9-10,19H,4-8H2,(H2,18,20)
InChIKeyOEBMMHAELGGYLL-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-(2,4-difluorophenoxy)cyclopentane-1-carboxamide
CID 79647458
1-(cyclopropylamino)-3-(2-methoxyphenoxy)cyclopentane-1-carboxamide
CID 79647928
3-(2,3-difluorophenoxy)-1-(methylamino)cyclohexane-1-carboxamide
CID 79637427
3-(2,3-difluorophenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79648627
[1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentyl]methanol
CID 79645266
1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide
CID 79647749
methyl 3-(2-fluorophenoxy)-1-(methylamino)cyclopentane-1-carboxylate
CID 79648683
1-(ethylamino)-3-(2-methoxyphenoxy)cyclopentane-1-carboxamide
CID 79649310
1-(methylamino)-3-(2-nitrophenoxy)cyclopentane-1-carboxamide
CID 79649110
1-(ethylamino)-3-(2-fluorophenoxy)cyclopentane-1-carboxylic acid
CID 79649075
methyl 1-(cyclopropylamino)-3-(3-fluorophenoxy)cyclopentane-1-carboxylate
CID 79647932
3-(2-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide
CID 79646685

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentane-1-carboxamide?
The IUPAC name of 1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentane-1-carboxamide (CID 79644449) is 1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentane-1-carboxamide is NC(=O)C1(NC2CC2)CCC(Oc2cccc(F)c2F)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentane-1-carboxamide?
The InChIKey is OEBMMHAELGGYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c16-11-2-1-3-12(13(11)17)21-10-6-7-15(8-10,14(18)20)19-9-4-5-9/h1-3,9-10,19H,4-8H2,(H2,18,20).
What are the key properties of 1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentane-1-carboxamide?
1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentane-1-carboxamide has a molecular weight of 296.32 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(2,3-difluorophenoxy)cyclopentane-1-carboxamide is sourced from PubChem (CID 79644449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).