1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide

C14H19ClN2O2 — CID 119271539

IUPAC1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCCOc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C14H19ClN2O2/c15-11-3-5-12(6-4-11)19-10-9-17-13(18)14(16)7-1-2-8-14/h3-6H,1-2,7-10,16H2,(H,17,18)
InChIKeyUJSVDGWTEQBKFI-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.11
Rot. Bonds5

About 1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide

1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide (PubChem CID 119271539) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
PubChem CID119271539
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCCOc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C14H19ClN2O2/c15-11-3-5-12(6-4-11)19-10-9-17-13(18)14(16)7-1-2-8-14/h3-6H,1-2,7-10,16H2,(H,17,18)
InChIKeyUJSVDGWTEQBKFI-UHFFFAOYSA-N
XLogP2.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Acetamide, 2-(4-chlorophenoxy)-N-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride
CID 3052206
2-(4-chlorophenoxy)-N-cyclopentylbutanamide
CID 6473403
N-[2-(4-Chlorophenoxy)ethyl]-3-(4-methoxyphenyl)propanamide
CID 578622
1-[2-(4-Chlorophenoxy)ethyl]-N-propylpiperidin-1-ium-3-carboxamide
CID 53350247
2-(4-chlorophenoxy)-N-(2-piperidin-1-ylethyl)acetamide
CID 2145527
N-[2-(4-Chlorophenoxy)ethyl]cyclohexanecarboxamide
CID 2317144
N-[2-(4-chlorophenoxy)ethyl]-N'-(tetrahydro-2-furanylmethyl)ethanediamide
CID 2901577
2-(4-Chlorophenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821447
8-{2-[2-(2-Chloro-phenoxy)-ethylamino]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 11210745
N-[2-(4-chlorophenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methylacetamide
CID 17485630
4-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)butanamide
CID 2914846
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]-2-methyl-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 46948070

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide (CID 119271539) is 1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide is NC1(C(=O)NCCOc2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide?
The InChIKey is UJSVDGWTEQBKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-11-3-5-12(6-4-11)19-10-9-17-13(18)14(16)7-1-2-8-14/h3-6H,1-2,7-10,16H2,(H,17,18).
What are the key properties of 1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide?
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119271539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).