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

C12H15ClN2O2 — CID 119734966

IUPAC1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCOc2cccc(Cl)c2)CC1
InChIInChI=1S/C12H15ClN2O2/c13-9-2-1-3-10(8-9)17-7-6-15-11(16)12(14)4-5-12/h1-3,8H,4-7,14H2,(H,15,16)
InChIKeyAUFAFJVQGYAHCO-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.33
Rot. Bonds5

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

1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide (PubChem CID 119734966) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide
PubChem CID119734966
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCOc2cccc(Cl)c2)CC1
InChIInChI=1S/C12H15ClN2O2/c13-9-2-1-3-10(8-9)17-7-6-15-11(16)12(14)4-5-12/h1-3,8H,4-7,14H2,(H,15,16)
InChIKeyAUFAFJVQGYAHCO-UHFFFAOYSA-N
XLogP1.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.33
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

1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119295699
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 119271539
2-amino-N-[2-(3-chlorophenoxy)ethyl]acetamide;hydrochloride
CID 119295694
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119271538
N-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623811
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide
CID 119274156
2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride
CID 119295698
1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464035
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119274155
1-amino-N-[2-(3,5-dimethylphenoxy)ethyl]cyclopropane-1-carboxamide
CID 83305851

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide (CID 119734966) is 1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide is NC1(C(=O)NCCOc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide?
The InChIKey is AUFAFJVQGYAHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-9-2-1-3-10(8-9)17-7-6-15-11(16)12(14)4-5-12/h1-3,8H,4-7,14H2,(H,15,16).
What are the key properties of 1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide?
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 1.33, 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-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119734966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).