2-[[2-[2,5-dichloro-N-[2-(propan-2-ylamino)ethyl]anilino]-2-oxoethyl]amino]-N-(1,3-dihydroisoindol-2-yl)-N-methylacetamide;dihydrochloride

C24H33Cl4N5O2 — CID 66881641

IUPAC2-[[2-[2,5-dichloro-N-[2-(propan-2-ylamino)ethyl]anilino]-2-oxoethyl]amino]-N-(1,3-dihydroisoindol-2-yl)-N-methylacetamide;dihydrochloride
SMILESCC(C)NCCN(C(=O)CNCC(=O)N(C)N1Cc2ccccc2C1)c1cc(Cl)ccc1Cl.Cl.Cl
InChIInChI=1S/C24H31Cl2N5O2.2ClH/c1-17(2)28-10-11-31(22-12-20(25)8-9-21(22)26)24(33)14-27-13-23(32)29(3)30-15-18-6-4-5-7-19(18)16-30;;/h4-9,12,17,27-28H,10-11,13-16H2,1-3H3;2*1H
InChIKeyZMHNSHZNVIZUOV-UHFFFAOYSA-N
MW565.37 g/mol
LogP4.15
Rot. Bonds10

About 2-[[2-[2,5-dichloro-N-[2-(propan-2-ylamino)ethyl]anilino]-2-oxoethyl]amino]-N-(1,3-dihydroisoindol-2-yl)-N-methylacetamide;dihydrochloride

2-[[2-[2,5-dichloro-N-[2-(propan-2-ylamino)ethyl]anilino]-2-oxoethyl]amino]-N-(1,3-dihydroisoindol-2-yl)-N-methylacetamide;dihydrochloride (PubChem CID 66881641) has the molecular formula C24H33Cl4N5O2 and a molecular weight of 565.37 g/mol. Its IUPAC name is 2-[[2-[2,5-dichloro-N-[2-(propan-2-ylamino)ethyl]anilino]-2-oxoethyl]amino]-N-(1,3-dihydroisoindol-2-yl)-N-methylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[[2-[2,5-dichloro-N-[2-(propan-2-ylamino)ethyl]anilino]-2-oxoethyl]amino]-N-(1,3-dihydroisoindol-2-yl)-N-methylacetamide;dihydrochloride
PubChem CID66881641
Molecular FormulaC24H33Cl4N5O2
Molecular Weight565.37 g/mol
Exact Mass563.14
IUPAC Name2-[[2-[2,5-dichloro-N-[2-(propan-2-ylamino)ethyl]anilino]-2-oxoethyl]amino]-N-(1,3-dihydroisoindol-2-yl)-N-methylacetamide;dihydrochloride
SMILESCC(C)NCCN(C(=O)CNCC(=O)N(C)N1Cc2ccccc2C1)c1cc(Cl)ccc1Cl.Cl.Cl
InChIInChI=1S/C24H31Cl2N5O2.2ClH/c1-17(2)28-10-11-31(22-12-20(25)8-9-21(22)26)24(33)14-27-13-23(32)29(3)30-15-18-6-4-5-7-19(18)16-30;;/h4-9,12,17,27-28H,10-11,13-16H2,1-3H3;2*1H
InChIKeyZMHNSHZNVIZUOV-UHFFFAOYSA-N
XLogP4.15
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.37
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[2,5-dichloro-N-[2-(propan-2-ylamino)ethyl]anilino]-2-oxoethyl]amino]-N-(1,3-dihydroisoindol-2-yl)-N-methylacetamide;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2,5-dichloro-N-[2-(propan-2-ylamino)ethyl]anilino]-2-oxoethyl]amino]-N-(1,3-dihydroisoindol-2-yl)-N-methylacetamide;dihydrochloride?
The IUPAC name of 2-[[2-[2,5-dichloro-N-[2-(propan-2-ylamino)ethyl]anilino]-2-oxoethyl]amino]-N-(1,3-dihydroisoindol-2-yl)-N-methylacetamide;dihydrochloride (CID 66881641) is 2-[[2-[2,5-dichloro-N-[2-(propan-2-ylamino)ethyl]anilino]-2-oxoethyl]amino]-N-(1,3-dihydroisoindol-2-yl)-N-methylacetamide;dihydrochloride.
What is the SMILES notation for 2-[[2-[2,5-dichloro-N-[2-(propan-2-ylamino)ethyl]anilino]-2-oxoethyl]amino]-N-(1,3-dihydroisoindol-2-yl)-N-methylacetamide;dihydrochloride?
The canonical SMILES for 2-[[2-[2,5-dichloro-N-[2-(propan-2-ylamino)ethyl]anilino]-2-oxoethyl]amino]-N-(1,3-dihydroisoindol-2-yl)-N-methylacetamide;dihydrochloride is CC(C)NCCN(C(=O)CNCC(=O)N(C)N1Cc2ccccc2C1)c1cc(Cl)ccc1Cl.Cl.Cl.
What is the InChIKey of 2-[[2-[2,5-dichloro-N-[2-(propan-2-ylamino)ethyl]anilino]-2-oxoethyl]amino]-N-(1,3-dihydroisoindol-2-yl)-N-methylacetamide;dihydrochloride?
The InChIKey is ZMHNSHZNVIZUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31Cl2N5O2.2ClH/c1-17(2)28-10-11-31(22-12-20(25)8-9-21(22)26)24(33)14-27-13-23(32)29(3)30-15-18-6-4-5-7-19(18)16-30;;/h4-9,12,17,27-28H,10-11,13-16H2,1-3H3;2*1H.
What are the key properties of 2-[[2-[2,5-dichloro-N-[2-(propan-2-ylamino)ethyl]anilino]-2-oxoethyl]amino]-N-(1,3-dihydroisoindol-2-yl)-N-methylacetamide;dihydrochloride?
2-[[2-[2,5-dichloro-N-[2-(propan-2-ylamino)ethyl]anilino]-2-oxoethyl]amino]-N-(1,3-dihydroisoindol-2-yl)-N-methylacetamide;dihydrochloride has a molecular weight of 565.37 g/mol, XLogP of 4.15, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2,5-dichloro-N-[2-(propan-2-ylamino)ethyl]anilino]-2-oxoethyl]amino]-N-(1,3-dihydroisoindol-2-yl)-N-methylacetamide;dihydrochloride is sourced from PubChem (CID 66881641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).