5-phenyl-2,4-dipropylbenzene-1,3-dicarboxamide;hydrochloride

C20H25ClN2O2 — CID 161172610

IUPAC5-phenyl-2,4-dipropylbenzene-1,3-dicarboxamide;hydrochloride
SMILESCCCc1c(C(N)=O)cc(-c2ccccc2)c(CCC)c1C(N)=O.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-3-8-14-16(13-10-6-5-7-11-13)12-17(19(21)23)15(9-4-2)18(14)20(22)24;/h5-7,10-12H,3-4,8-9H2,1-2H3,(H2,21,23)(H2,22,24);1H
InChIKeyIEGHIHLQELLHGL-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.88
Rot. Bonds7

About 5-phenyl-2,4-dipropylbenzene-1,3-dicarboxamide;hydrochloride

5-phenyl-2,4-dipropylbenzene-1,3-dicarboxamide;hydrochloride (PubChem CID 161172610) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 5-phenyl-2,4-dipropylbenzene-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name5-phenyl-2,4-dipropylbenzene-1,3-dicarboxamide;hydrochloride
PubChem CID161172610
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name5-phenyl-2,4-dipropylbenzene-1,3-dicarboxamide;hydrochloride
SMILESCCCc1c(C(N)=O)cc(-c2ccccc2)c(CCC)c1C(N)=O.Cl
InChIInChI=1S/C20H24N2O2.ClH/c1-3-8-14-16(13-10-6-5-7-11-13)12-17(19(21)23)15(9-4-2)18(14)20(22)24;/h5-7,10-12H,3-4,8-9H2,1-2H3,(H2,21,23)(H2,22,24);1H
InChIKeyIEGHIHLQELLHGL-UHFFFAOYSA-N
XLogP3.88
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2,4-dipropylbenzene-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 5-phenyl-2,4-dipropylbenzene-1,3-dicarboxamide;hydrochloride (CID 161172610) is 5-phenyl-2,4-dipropylbenzene-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 5-phenyl-2,4-dipropylbenzene-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 5-phenyl-2,4-dipropylbenzene-1,3-dicarboxamide;hydrochloride is CCCc1c(C(N)=O)cc(-c2ccccc2)c(CCC)c1C(N)=O.Cl.
What is the InChIKey of 5-phenyl-2,4-dipropylbenzene-1,3-dicarboxamide;hydrochloride?
The InChIKey is IEGHIHLQELLHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c1-3-8-14-16(13-10-6-5-7-11-13)12-17(19(21)23)15(9-4-2)18(14)20(22)24;/h5-7,10-12H,3-4,8-9H2,1-2H3,(H2,21,23)(H2,22,24);1H.
What are the key properties of 5-phenyl-2,4-dipropylbenzene-1,3-dicarboxamide;hydrochloride?
5-phenyl-2,4-dipropylbenzene-1,3-dicarboxamide;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2,4-dipropylbenzene-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 161172610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).