N-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide

C19H21ClFN3O2 — CID 108880006

IUPACN-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2ccccc2F)CC1)Oc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClFN3O2/c1-14(26-16-8-6-15(20)7-9-16)22-19(25)24-12-10-23(11-13-24)18-5-3-2-4-17(18)21/h2-9,14H,10-13H2,1H3,(H,22,25)
InChIKeyWLVUTBJMPBVONH-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.74
Rot. Bonds4

About N-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide

N-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide (PubChem CID 108880006) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is N-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
PubChem CID108880006
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC NameN-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2ccccc2F)CC1)Oc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClFN3O2/c1-14(26-16-8-6-15(20)7-9-16)22-19(25)24-12-10-23(11-13-24)18-5-3-2-4-17(18)21/h2-9,14H,10-13H2,1H3,(H,22,25)
InChIKeyWLVUTBJMPBVONH-UHFFFAOYSA-N
XLogP3.74
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide
CID 108871212
(2R)-2-(4-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 40697011
N-[1-(4-chlorophenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 108879830
N-[1-(4-chlorophenoxy)ethyl]-4-ethylpiperazine-1-carboxamide
CID 108879940
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
4-(2,3-dimethylphenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide
CID 108871201
N-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108867571
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754
N-[1-(4-hydroxyphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108871232
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 1310661
2,4-dichloro-N-[1-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 24665615

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide (CID 108880006) is N-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide is CC(NC(=O)N1CCN(c2ccccc2F)CC1)Oc1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is WLVUTBJMPBVONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O2/c1-14(26-16-8-6-15(20)7-9-16)22-19(25)24-12-10-23(11-13-24)18-5-3-2-4-17(18)21/h2-9,14H,10-13H2,1H3,(H,22,25).
What are the key properties of N-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide?
N-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 377.85 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108880006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).