1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide

C28H30Cl2N2O2 — CID 17139039

IUPAC1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide
SMILESCc1c(C)c(C(=O)NCCc2ccc(Cl)cc2)c(C)c(C)c1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C28H30Cl2N2O2/c1-17-18(2)26(28(34)32-16-14-22-7-11-24(30)12-8-22)20(4)19(3)25(17)27(33)31-15-13-21-5-9-23(29)10-6-21/h5-12H,13-16H2,1-4H3,(H,31,33)(H,32,34)
InChIKeySNEXENGSLYBTCZ-UHFFFAOYSA-N
MW497.47 g/mol
LogP6.17
Rot. Bonds8

About 1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide

1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide (PubChem CID 17139039) has the molecular formula C28H30Cl2N2O2 and a molecular weight of 497.47 g/mol. Its IUPAC name is 1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide
PubChem CID17139039
Molecular FormulaC28H30Cl2N2O2
Molecular Weight497.47 g/mol
Exact Mass496.17
IUPAC Name1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide
SMILESCc1c(C)c(C(=O)NCCc2ccc(Cl)cc2)c(C)c(C)c1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C28H30Cl2N2O2/c1-17-18(2)26(28(34)32-16-14-22-7-11-24(30)12-8-22)20(4)19(3)25(17)27(33)31-15-13-21-5-9-23(29)10-6-21/h5-12H,13-16H2,1-4H3,(H,31,33)(H,32,34)
InChIKeySNEXENGSLYBTCZ-UHFFFAOYSA-N
XLogP6.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.47
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853491
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
N-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpyridine-4-carboxamide
CID 110853490
N-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 27646619
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide
CID 81395966
N-[2-(4-chlorophenyl)ethyl]-2-hydroxy-5-methylbenzamide
CID 27646537
N-[2-(4-chlorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2078310
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47133600
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide (CID 17139039) is 1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide is Cc1c(C)c(C(=O)NCCc2ccc(Cl)cc2)c(C)c(C)c1C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide?
The InChIKey is SNEXENGSLYBTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2N2O2/c1-17-18(2)26(28(34)32-16-14-22-7-11-24(30)12-8-22)20(4)19(3)25(17)27(33)31-15-13-21-5-9-23(29)10-6-21/h5-12H,13-16H2,1-4H3,(H,31,33)(H,32,34).
What are the key properties of 1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide?
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide has a molecular weight of 497.47 g/mol, XLogP of 6.17, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 17139039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).