3-(2-chloro-5-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide

C13H16ClN3O4 — CID 79644677

IUPAC3-(2-chloro-5-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(Oc2cc([N+](=O)[O-])ccc2Cl)C1
InChIInChI=1S/C13H16ClN3O4/c1-16-13(12(15)18)5-4-9(7-13)21-11-6-8(17(19)20)2-3-10(11)14/h2-3,6,9,16H,4-5,7H2,1H3,(H2,15,18)
InChIKeyJWRPTCZIXPRXBB-UHFFFAOYSA-N
MW313.74 g/mol
LogP1.62
Rot. Bonds5

About 3-(2-chloro-5-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide

3-(2-chloro-5-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide (PubChem CID 79644677) has the molecular formula C13H16ClN3O4 and a molecular weight of 313.74 g/mol. Its IUPAC name is 3-(2-chloro-5-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-5-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide
PubChem CID79644677
Molecular FormulaC13H16ClN3O4
Molecular Weight313.74 g/mol
Exact Mass313.08
IUPAC Name3-(2-chloro-5-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(Oc2cc([N+](=O)[O-])ccc2Cl)C1
InChIInChI=1S/C13H16ClN3O4/c1-16-13(12(15)18)5-4-9(7-13)21-11-6-8(17(19)20)2-3-10(11)14/h2-3,6,9,16H,4-5,7H2,1H3,(H2,15,18)
InChIKeyJWRPTCZIXPRXBB-UHFFFAOYSA-N
XLogP1.62
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide
CID 79646685
1-amino-3-(2-chloro-5-nitrophenoxy)cyclohexane-1-carboxamide
CID 79635447
1-(methylamino)-3-(2-nitrophenoxy)cyclopentane-1-carboxamide
CID 79649110
methyl 1-(methylamino)-3-(3-nitrophenoxy)cyclopentane-1-carboxylate
CID 79646437
1-(methylamino)-3-(2,3,5-trimethylphenoxy)cyclopentane-1-carboxamide
CID 79649389
3-(2-chloro-5-nitrophenoxy)cyclobutan-1-ol
CID 66345858
3-(3,5-dimethoxyphenoxy)-1-(methylamino)cyclopentane-1-carboxamide
CID 79646943
1-(methylamino)-3-(2-methyl-3-nitrophenoxy)cyclopentane-1-carboxylic acid
CID 79646675
3-(2-bromo-5-nitrophenoxy)-1-(methylamino)cyclopentane-1-carbonitrile
CID 103012159
methyl 2-[1-(2-chloro-5-nitrophenoxy)cyclobutyl]acetate
CID 103272752
1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)cyclopentane-1-carboxamide
CID 79647720
3-(3-fluoro-4-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79646715

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-(2-chloro-5-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide (CID 79644677) is 3-(2-chloro-5-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-(2-chloro-5-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-(2-chloro-5-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide is CNC1(C(N)=O)CCC(Oc2cc([N+](=O)[O-])ccc2Cl)C1.
What is the InChIKey of 3-(2-chloro-5-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide?
The InChIKey is JWRPTCZIXPRXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O4/c1-16-13(12(15)18)5-4-9(7-13)21-11-6-8(17(19)20)2-3-10(11)14/h2-3,6,9,16H,4-5,7H2,1H3,(H2,15,18).
What are the key properties of 3-(2-chloro-5-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide?
3-(2-chloro-5-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide has a molecular weight of 313.74 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-nitrophenoxy)-1-(methylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79644677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).