3,4-dichloro-N-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]benzamide

C16H20Cl2N4O3 — CID 78803732

IUPAC3,4-dichloro-N-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H20Cl2N4O3/c1-19-14(23)10-21-4-6-22(7-5-21)15(24)9-20-16(25)11-2-3-12(17)13(18)8-11/h2-3,8H,4-7,9-10H2,1H3,(H,19,23)(H,20,25)
InChIKeyMFGSZZOAHBEIPV-UHFFFAOYSA-N
MW387.27 g/mol
LogP0.61
Rot. Bonds5

About 3,4-dichloro-N-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]benzamide

3,4-dichloro-N-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 78803732) has the molecular formula C16H20Cl2N4O3 and a molecular weight of 387.27 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID78803732
Molecular FormulaC16H20Cl2N4O3
Molecular Weight387.27 g/mol
Exact Mass386.09
IUPAC Name3,4-dichloro-N-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C16H20Cl2N4O3/c1-19-14(23)10-21-4-6-22(7-5-21)15(24)9-20-16(25)11-2-3-12(17)13(18)8-11/h2-3,8H,4-7,9-10H2,1H3,(H,19,23)(H,20,25)
InChIKeyMFGSZZOAHBEIPV-UHFFFAOYSA-N
XLogP0.61
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
CID 34432708
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 2106255
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 119373866
3,4-dichloro-N-[2-oxo-2-(1,4-thiazepan-4-yl)ethyl]benzamide
CID 86846006
3-chloro-N-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 112772309
2-[4-[2-(3,4-dichlorobenzoyl)benzoyl]-1,4-diazepan-1-yl]-N-methylacetamide
CID 166195242
3,4-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 27665451
N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 2106254
3,4-dichloro-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]benzamide
CID 119622615
N-[2-[3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
CID 59764623
3,4-dichloro-N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 35514698
3-amino-4-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 112687673

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]benzamide (CID 78803732) is 3,4-dichloro-N-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]benzamide is CNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 3,4-dichloro-N-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is MFGSZZOAHBEIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4O3/c1-19-14(23)10-21-4-6-22(7-5-21)15(24)9-20-16(25)11-2-3-12(17)13(18)8-11/h2-3,8H,4-7,9-10H2,1H3,(H,19,23)(H,20,25).
What are the key properties of 3,4-dichloro-N-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]benzamide?
3,4-dichloro-N-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 387.27 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 78803732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).