4-[2-[4-(2-chlorophenoxy)anilino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide

C21H25ClN4O3 — CID 78827977

IUPAC4-[2-[4-(2-chlorophenoxy)anilino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C21H25ClN4O3/c1-2-23-21(28)26-13-11-25(12-14-26)15-20(27)24-16-7-9-17(10-8-16)29-19-6-4-3-5-18(19)22/h3-10H,2,11-15H2,1H3,(H,23,28)(H,24,27)
InChIKeyGHAFIOACJYRVCW-UHFFFAOYSA-N
MW416.91 g/mol
LogP3.42
Rot. Bonds6

About 4-[2-[4-(2-chlorophenoxy)anilino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide

4-[2-[4-(2-chlorophenoxy)anilino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 78827977) has the molecular formula C21H25ClN4O3 and a molecular weight of 416.91 g/mol. Its IUPAC name is 4-[2-[4-(2-chlorophenoxy)anilino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[4-(2-chlorophenoxy)anilino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
PubChem CID78827977
Molecular FormulaC21H25ClN4O3
Molecular Weight416.91 g/mol
Exact Mass416.16
IUPAC Name4-[2-[4-(2-chlorophenoxy)anilino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C21H25ClN4O3/c1-2-23-21(28)26-13-11-25(12-14-26)15-20(27)24-16-7-9-17(10-8-16)29-19-6-4-3-5-18(19)22/h3-10H,2,11-15H2,1H3,(H,23,28)(H,24,27)
InChIKeyGHAFIOACJYRVCW-UHFFFAOYSA-N
XLogP3.42
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 30739596
N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 27849921
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
2-(4-benzoylpiperazin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 9223614
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
2-(4-ethylpiperazin-1-yl)-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 31477023
4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17447421
2-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 55364420
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide
CID 168524296
ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate
CID 8932102
N-[4-(2-chlorophenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 24529866

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-chlorophenoxy)anilino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-[4-(2-chlorophenoxy)anilino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide (CID 78827977) is 4-[2-[4-(2-chlorophenoxy)anilino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[4-(2-chlorophenoxy)anilino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-[4-(2-chlorophenoxy)anilino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(CC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1.
What is the InChIKey of 4-[2-[4-(2-chlorophenoxy)anilino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is GHAFIOACJYRVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O3/c1-2-23-21(28)26-13-11-25(12-14-26)15-20(27)24-16-7-9-17(10-8-16)29-19-6-4-3-5-18(19)22/h3-10H,2,11-15H2,1H3,(H,23,28)(H,24,27).
What are the key properties of 4-[2-[4-(2-chlorophenoxy)anilino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide?
4-[2-[4-(2-chlorophenoxy)anilino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 416.91 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-chlorophenoxy)anilino]-2-oxoethyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 78827977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).