2-(3-chloro-2-methylanilino)-1-(4-ethylpiperazin-1-yl)ethanone

C15H22ClN3O — CID 108995630

IUPAC2-(3-chloro-2-methylanilino)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)CNc2cccc(Cl)c2C)CC1
InChIInChI=1S/C15H22ClN3O/c1-3-18-7-9-19(10-8-18)15(20)11-17-14-6-4-5-13(16)12(14)2/h4-6,17H,3,7-11H2,1-2H3
InChIKeyAFVCRTIOWGBKJE-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.22
Rot. Bonds4

About 2-(3-chloro-2-methylanilino)-1-(4-ethylpiperazin-1-yl)ethanone

2-(3-chloro-2-methylanilino)-1-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 108995630) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-1-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-1-(4-ethylpiperazin-1-yl)ethanone
PubChem CID108995630
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-(3-chloro-2-methylanilino)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)CNc2cccc(Cl)c2C)CC1
InChIInChI=1S/C15H22ClN3O/c1-3-18-7-9-19(10-8-18)15(20)11-17-14-6-4-5-13(16)12(14)2/h4-6,17H,3,7-11H2,1-2H3
InChIKeyAFVCRTIOWGBKJE-UHFFFAOYSA-N
XLogP2.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-methylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 17395805
N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 22199009
1-(4-benzylpiperazin-1-yl)-2-(2,3-dimethylanilino)ethanone
CID 109002020
3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017608
ethyl 4-[3-(3-chloro-2-methylanilino)propanoyl]piperazine-1-carboxylate
CID 109029054
N-(3-chloro-2-methylphenyl)-3-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-3-oxopropanamide
CID 131894427
1-(azepan-1-yl)-2-(3-bromo-2-methylanilino)ethanone
CID 103721440
N-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084484
3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 100601115
2-(3-chloro-4-fluoroanilino)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995634
3-(3-chloro-2-methylanilino)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 109029997
N-(3-chloro-2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944418

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-1-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-chloro-2-methylanilino)-1-(4-ethylpiperazin-1-yl)ethanone (CID 108995630) is 2-(3-chloro-2-methylanilino)-1-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-1-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-1-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(C(=O)CNc2cccc(Cl)c2C)CC1.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-1-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is AFVCRTIOWGBKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-3-18-7-9-19(10-8-18)15(20)11-17-14-6-4-5-13(16)12(14)2/h4-6,17H,3,7-11H2,1-2H3.
What are the key properties of 2-(3-chloro-2-methylanilino)-1-(4-ethylpiperazin-1-yl)ethanone?
2-(3-chloro-2-methylanilino)-1-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 295.81 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylanilino)-1-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 108995630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).