1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide

C23H21ClN2O2 — CID 109049117

IUPAC1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
SMILESCN(C(=O)c1ccc(C(=O)NCCc2cccc(Cl)c2)cc1)c1ccccc1
InChIInChI=1S/C23H21ClN2O2/c1-26(21-8-3-2-4-9-21)23(28)19-12-10-18(11-13-19)22(27)25-15-14-17-6-5-7-20(24)16-17/h2-13,16H,14-15H2,1H3,(H,25,27)
InChIKeyCMEMPWOJIDWRQI-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.59
Rot. Bonds6

About 1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide

1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide (PubChem CID 109049117) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
PubChem CID109049117
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
SMILESCN(C(=O)c1ccc(C(=O)NCCc2cccc(Cl)c2)cc1)c1ccccc1
InChIInChI=1S/C23H21ClN2O2/c1-26(21-8-3-2-4-9-21)23(28)19-12-10-18(11-13-19)22(27)25-15-14-17-6-5-7-20(24)16-17/h2-13,16H,14-15H2,1H3,(H,25,27)
InChIKeyCMEMPWOJIDWRQI-UHFFFAOYSA-N
XLogP4.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide
CID 108966948
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043911
N-[2-[[N-[2-(3-chlorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111358335
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
1-N-butyl-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109043733
3-[(3-chlorophenyl)methyl]-1-methyl-1-phenylurea
CID 110301228
N-[2-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213299
3-[2-(3-chlorophenyl)ethyl]-1-ethyl-1-phenylurea
CID 108901403
N-[2-(3-chlorophenyl)ethyl]-4-hydroxy-3-phenylbenzamide
CID 154832803
N-[2-(3-chlorophenyl)ethyl]-3-ethylbenzamide;ethane
CID 143158267
4-chloro-N-[4-[2-(3-chlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 27838626
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113068381

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide (CID 109049117) is 1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide is CN(C(=O)c1ccc(C(=O)NCCc2cccc(Cl)c2)cc1)c1ccccc1.
What is the InChIKey of 1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide?
The InChIKey is CMEMPWOJIDWRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c1-26(21-8-3-2-4-9-21)23(28)19-12-10-18(11-13-19)22(27)25-15-14-17-6-5-7-20(24)16-17/h2-13,16H,14-15H2,1H3,(H,25,27).
What are the key properties of 1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide?
1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide has a molecular weight of 392.89 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3-chlorophenyl)ethyl]-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109049117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).