3-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide

C14H19ClN2O2 — CID 119734978

IUPAC3-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCCOc2cccc(Cl)c2)C1
InChIInChI=1S/C14H19ClN2O2/c15-11-2-1-3-13(9-11)19-7-6-17-14(18)10-4-5-12(16)8-10/h1-3,9-10,12H,4-8,16H2,(H,17,18)
InChIKeyDAEFAVHSEHSYAK-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.96
Rot. Bonds5

About 3-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide

3-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide (PubChem CID 119734978) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
PubChem CID119734978
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCCOc2cccc(Cl)c2)C1
InChIInChI=1S/C14H19ClN2O2/c15-11-2-1-3-13(9-11)19-7-6-17-14(18)10-4-5-12(16)8-10/h1-3,9-10,12H,4-8,16H2,(H,17,18)
InChIKeyDAEFAVHSEHSYAK-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
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

3-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119736703
3-amino-N-(3-phenoxypropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119694903
N-[2-(3-aminophenoxy)ethyl]cyclopropanecarboxamide
CID 39244343
N-[2-(3-chlorophenoxy)ethyl]-4-(cyclopropanecarbonylamino)benzamide
CID 55724790
3-amino-N-[2-(2-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119742919
3-amino-N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]cyclopentane-1-carboxamide
CID 119773406
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide
CID 119734966
N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119295688
2-amino-N-[2-(3-chlorophenoxy)ethyl]acetamide;hydrochloride
CID 119295694
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
cis-(1R,2S)-N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 94182100

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide (CID 119734978) is 3-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)NCCOc2cccc(Cl)c2)C1.
What is the InChIKey of 3-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide?
The InChIKey is DAEFAVHSEHSYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-11-2-1-3-13(9-11)19-7-6-17-14(18)10-4-5-12(16)8-10/h1-3,9-10,12H,4-8,16H2,(H,17,18).
What are the key properties of 3-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide?
3-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119734978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).