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

C19H21Cl2N3O2 — CID 35962342

IUPAC4-[2-(2-chlorophenoxy)ethyl]-N-(3-chlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C19H21Cl2N3O2/c20-15-4-3-5-16(14-15)22-19(25)24-10-8-23(9-11-24)12-13-26-18-7-2-1-6-17(18)21/h1-7,14H,8-13H2,(H,22,25)
InChIKeyIQUUHDZVVMJKHU-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.22
Rot. Bonds5

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

4-[2-(2-chlorophenoxy)ethyl]-N-(3-chlorophenyl)piperazine-1-carboxamide (PubChem CID 35962342) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 4-[2-(2-chlorophenoxy)ethyl]-N-(3-chlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2-chlorophenoxy)ethyl]-N-(3-chlorophenyl)piperazine-1-carboxamide
PubChem CID35962342
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name4-[2-(2-chlorophenoxy)ethyl]-N-(3-chlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C19H21Cl2N3O2/c20-15-4-3-5-16(14-15)22-19(25)24-10-8-23(9-11-24)12-13-26-18-7-2-1-6-17(18)21/h1-7,14H,8-13H2,(H,22,25)
InChIKeyIQUUHDZVVMJKHU-UHFFFAOYSA-N
XLogP4.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-4-[2-(4-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 110409809
N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
CID 17184978
2-(2-chlorophenoxy)ethyl N-(3-chlorophenyl)carbamate
CID 2244784
N-(1,3-benzothiazol-2-yl)-4-[2-(2-chlorophenoxy)ethyl]piperazine-1-carboxamide
CID 30299059
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 78787888
3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 24589425
N-(3-chlorophenyl)-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide
CID 23794104
2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119839360
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
methyl 3-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoate
CID 154873717
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 60554267

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenoxy)ethyl]-N-(3-chlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(2-chlorophenoxy)ethyl]-N-(3-chlorophenyl)piperazine-1-carboxamide (CID 35962342) is 4-[2-(2-chlorophenoxy)ethyl]-N-(3-chlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2-chlorophenoxy)ethyl]-N-(3-chlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2-chlorophenoxy)ethyl]-N-(3-chlorophenyl)piperazine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCN(CCOc2ccccc2Cl)CC1.
What is the InChIKey of 4-[2-(2-chlorophenoxy)ethyl]-N-(3-chlorophenyl)piperazine-1-carboxamide?
The InChIKey is IQUUHDZVVMJKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c20-15-4-3-5-16(14-15)22-19(25)24-10-8-23(9-11-24)12-13-26-18-7-2-1-6-17(18)21/h1-7,14H,8-13H2,(H,22,25).
What are the key properties of 4-[2-(2-chlorophenoxy)ethyl]-N-(3-chlorophenyl)piperazine-1-carboxamide?
4-[2-(2-chlorophenoxy)ethyl]-N-(3-chlorophenyl)piperazine-1-carboxamide has a molecular weight of 394.30 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenoxy)ethyl]-N-(3-chlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 35962342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).