1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide

C24H22Cl2N2O2 — CID 1242332

IUPAC1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cccc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H22Cl2N2O2/c25-21-8-4-17(5-9-21)12-14-27-23(29)19-2-1-3-20(16-19)24(30)28-15-13-18-6-10-22(26)11-7-18/h1-11,16H,12-15H2,(H,27,29)(H,28,30)
InChIKeyRSBXBWAHHDJYLU-UHFFFAOYSA-N
MW441.36 g/mol
LogP4.94
Rot. Bonds8

About 1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide

1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide (PubChem CID 1242332) has the molecular formula C24H22Cl2N2O2 and a molecular weight of 441.36 g/mol. Its IUPAC name is 1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
PubChem CID1242332
Molecular FormulaC24H22Cl2N2O2
Molecular Weight441.36 g/mol
Exact Mass440.11
IUPAC Name1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cccc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C24H22Cl2N2O2/c25-21-8-4-17(5-9-21)12-14-27-23(29)19-2-1-3-20(16-19)24(30)28-15-13-18-6-10-22(26)11-7-18/h1-11,16H,12-15H2,(H,27,29)(H,28,30)
InChIKeyRSBXBWAHHDJYLU-UHFFFAOYSA-N
XLogP4.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.36
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide
CID 9217649
1-N-[2-(4-chlorophenyl)ethyl]-3-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050914
1-N-[2-(4-chlorophenyl)ethyl]-3-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109055685
3-(azepane-1-carbonyl)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 109055683
3-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 16889424
N-[2-(4-chlorophenyl)ethyl]-3-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 9217155
N-[2-(4-chlorophenyl)ethyl]-3-(propylsulfamoyl)benzamide
CID 109061886
N-[2-(4-chlorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
CID 109062685
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9403209
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide (CID 1242332) is 1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide is O=C(NCCc1ccc(Cl)cc1)c1cccc(C(=O)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is RSBXBWAHHDJYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O2/c25-21-8-4-17(5-9-21)12-14-27-23(29)19-2-1-3-20(16-19)24(30)28-15-13-18-6-10-22(26)11-7-18/h1-11,16H,12-15H2,(H,27,29)(H,28,30).
What are the key properties of 1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide?
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 441.36 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 1242332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).