N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride

C14H20Cl2N2O2 — CID 119336985

IUPACN-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CCCN1)Oc1cccc(Cl)c1.Cl
InChIInChI=1S/C14H19ClN2O2.ClH/c1-10(19-12-5-2-4-11(15)8-12)9-17-14(18)13-6-3-7-16-13;/h2,4-5,8,10,13,16H,3,6-7,9H2,1H3,(H,17,18);1H
InChIKeyWNMVHCWWJYUEOM-UHFFFAOYSA-N
MW319.23 g/mol
LogP2.40
Rot. Bonds5

About N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride

N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119336985) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119336985
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC NameN-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1CCCN1)Oc1cccc(Cl)c1.Cl
InChIInChI=1S/C14H19ClN2O2.ClH/c1-10(19-12-5-2-4-11(15)8-12)9-17-14(18)13-6-3-7-16-13;/h2,4-5,8,10,13,16H,3,6-7,9H2,1H3,(H,17,18);1H
InChIKeyWNMVHCWWJYUEOM-UHFFFAOYSA-N
XLogP2.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenoxy)propyl]piperidine-2-carboxamide
CID 119336972
N-[2-(3-methylphenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335744
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119295521
N-(2-phenoxypropyl)pyrrolidine-2-carboxamide
CID 119295522
N-[2-(3-chlorophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119807141
N-[2-(3-chlorophenoxy)propyl]piperidine-3-carboxamide;hydrochloride
CID 119336993
N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119295688
N-[2-(3-chlorophenoxy)propyl]morpholine-2-carboxamide;hydrochloride
CID 119807139
N-[2-(2-fluorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335715
N-[2-(3-methylphenoxy)butyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119148602
3-amino-N-[2-(3-chlorophenoxy)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119807110
2-(3-chlorophenoxy)-N-(cyclopropylmethyl)propan-1-amine
CID 62228542

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119336985) is N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride is CC(CNC(=O)C1CCCN1)Oc1cccc(Cl)c1.Cl.
What is the InChIKey of N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is WNMVHCWWJYUEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2.ClH/c1-10(19-12-5-2-4-11(15)8-12)9-17-14(18)13-6-3-7-16-13;/h2,4-5,8,10,13,16H,3,6-7,9H2,1H3,(H,17,18);1H.
What are the key properties of N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 319.23 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119336985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).