4-[4-[3-(2,3-dichlorophenoxy)propanoyl]piperazin-1-yl]benzamide

C20H21Cl2N3O3 — CID 86969202

IUPAC4-[4-[3-(2,3-dichlorophenoxy)propanoyl]piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)CCOc3cccc(Cl)c3Cl)CC2)cc1
InChIInChI=1S/C20H21Cl2N3O3/c21-16-2-1-3-17(19(16)22)28-13-8-18(26)25-11-9-24(10-12-25)15-6-4-14(5-7-15)20(23)27/h1-7H,8-13H2,(H2,23,27)
InChIKeyUHRLEIVNAFVJBS-UHFFFAOYSA-N
MW422.31 g/mol
LogP3.21
Rot. Bonds6

About 4-[4-[3-(2,3-dichlorophenoxy)propanoyl]piperazin-1-yl]benzamide

4-[4-[3-(2,3-dichlorophenoxy)propanoyl]piperazin-1-yl]benzamide (PubChem CID 86969202) has the molecular formula C20H21Cl2N3O3 and a molecular weight of 422.31 g/mol. Its IUPAC name is 4-[4-[3-(2,3-dichlorophenoxy)propanoyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-[3-(2,3-dichlorophenoxy)propanoyl]piperazin-1-yl]benzamide
PubChem CID86969202
Molecular FormulaC20H21Cl2N3O3
Molecular Weight422.31 g/mol
Exact Mass421.10
IUPAC Name4-[4-[3-(2,3-dichlorophenoxy)propanoyl]piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)CCOc3cccc(Cl)c3Cl)CC2)cc1
InChIInChI=1S/C20H21Cl2N3O3/c21-16-2-1-3-17(19(16)22)28-13-8-18(26)25-11-9-24(10-12-25)15-6-4-14(5-7-15)20(23)27/h1-7H,8-13H2,(H2,23,27)
InChIKeyUHRLEIVNAFVJBS-UHFFFAOYSA-N
XLogP3.21
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[3-(2,3-dichlorophenoxy)propanoyl]piperidine-3-carboxamide
CID 95293794
1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-(2,3-dichlorophenoxy)propan-1-one
CID 55770993
4-(4-carbamoylphenyl)-N-(2-chloro-6-methoxyphenyl)piperazine-1-carboxamide
CID 167764760
4-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzoic acid
CID 4740871
3-(2-hydroxyphenoxy)-1-[4-(4-phenoxyphenyl)piperazin-1-yl]propan-1-one
CID 4741032
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 43135355
1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2,3-dichlorophenoxy)propan-1-one
CID 125146243
2-(2-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 716264
1-(4-amino-2-methylpiperidin-1-yl)-3-(2,3-dichlorophenoxy)propan-1-one
CID 122149230
1-[3-(aminomethyl)pyrrolidin-1-yl]-4-(2,3-dichlorophenoxy)butan-1-one
CID 119486137
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 25130950
2-(3-oxo-3-piperazin-1-ylpropoxy)benzamide
CID 62543936

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2,3-dichlorophenoxy)propanoyl]piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-[3-(2,3-dichlorophenoxy)propanoyl]piperazin-1-yl]benzamide (CID 86969202) is 4-[4-[3-(2,3-dichlorophenoxy)propanoyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-[3-(2,3-dichlorophenoxy)propanoyl]piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-[3-(2,3-dichlorophenoxy)propanoyl]piperazin-1-yl]benzamide is NC(=O)c1ccc(N2CCN(C(=O)CCOc3cccc(Cl)c3Cl)CC2)cc1.
What is the InChIKey of 4-[4-[3-(2,3-dichlorophenoxy)propanoyl]piperazin-1-yl]benzamide?
The InChIKey is UHRLEIVNAFVJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O3/c21-16-2-1-3-17(19(16)22)28-13-8-18(26)25-11-9-24(10-12-25)15-6-4-14(5-7-15)20(23)27/h1-7H,8-13H2,(H2,23,27).
What are the key properties of 4-[4-[3-(2,3-dichlorophenoxy)propanoyl]piperazin-1-yl]benzamide?
4-[4-[3-(2,3-dichlorophenoxy)propanoyl]piperazin-1-yl]benzamide has a molecular weight of 422.31 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(2,3-dichlorophenoxy)propanoyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 86969202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).