4-(3-chlorophenyl)-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide

C19H21ClFN3O2 — CID 27535774

IUPAC4-(3-chlorophenyl)-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCOc1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H21ClFN3O2/c20-15-4-3-5-16(14-15)23-9-11-24(12-10-23)19(25)22-8-13-26-18-7-2-1-6-17(18)21/h1-7,14H,8-13H2,(H,22,25)
InChIKeyMOGVEVPICIAWEX-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.39
Rot. Bonds5

About 4-(3-chlorophenyl)-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide

4-(3-chlorophenyl)-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide (PubChem CID 27535774) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide
PubChem CID27535774
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC Name4-(3-chlorophenyl)-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCOc1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H21ClFN3O2/c20-15-4-3-5-16(14-15)23-9-11-24(12-10-23)19(25)22-8-13-26-18-7-2-1-6-17(18)21/h1-7,14H,8-13H2,(H,22,25)
InChIKeyMOGVEVPICIAWEX-UHFFFAOYSA-N
XLogP3.39
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-difluorophenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112976157
4-(3-chlorophenyl)-N-[2-(2,4-dimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112973655
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112976841
4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 22107953
4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27133567
4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide
CID 110675953
N-[3-(4-bromo-2-chlorophenoxy)propyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108882573
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112977176
4-(3-chlorophenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperazine-1-carboxamide
CID 108875035
N-[2-(2,4-dimethylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112973642
N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112970539

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide (CID 27535774) is 4-(3-chlorophenyl)-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide is O=C(NCCOc1ccccc1F)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide?
The InChIKey is MOGVEVPICIAWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O2/c20-15-4-3-5-16(14-15)23-9-11-24(12-10-23)19(25)22-8-13-26-18-7-2-1-6-17(18)21/h1-7,14H,8-13H2,(H,22,25).
What are the key properties of 4-(3-chlorophenyl)-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide has a molecular weight of 377.85 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-[2-(2-fluorophenoxy)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 27535774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).