4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide

C20H26Cl2N2O2 — CID 23880547

IUPAC4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
SMILESO=C(NC1CCCCC1)c1cc(Cl)c(Cl)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C20H26Cl2N2O2/c21-17-11-15(19(25)23-13-7-3-1-4-8-13)16(12-18(17)22)20(26)24-14-9-5-2-6-10-14/h11-14H,1-10H2,(H,23,25)(H,24,26)
InChIKeyBJGNFOIXDIFJPJ-UHFFFAOYSA-N
MW397.35 g/mol
LogP5.12
Rot. Bonds4

About 4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide

4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide (PubChem CID 23880547) has the molecular formula C20H26Cl2N2O2 and a molecular weight of 397.35 g/mol. Its IUPAC name is 4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide.

Molecular Properties

Compound Name4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
PubChem CID23880547
Molecular FormulaC20H26Cl2N2O2
Molecular Weight397.35 g/mol
Exact Mass396.14
IUPAC Name4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
SMILESO=C(NC1CCCCC1)c1cc(Cl)c(Cl)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C20H26Cl2N2O2/c21-17-11-15(19(25)23-13-7-3-1-4-8-13)16(12-18(17)22)20(26)24-14-9-5-2-6-10-14/h11-14H,1-10H2,(H,23,25)(H,24,26)
InChIKeyBJGNFOIXDIFJPJ-UHFFFAOYSA-N
XLogP5.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.35
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 72547632
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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide?
The IUPAC name of 4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide (CID 23880547) is 4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide.
What is the SMILES notation for 4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide?
The canonical SMILES for 4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide is O=C(NC1CCCCC1)c1cc(Cl)c(Cl)cc1C(=O)NC1CCCCC1.
What is the InChIKey of 4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide?
The InChIKey is BJGNFOIXDIFJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N2O2/c21-17-11-15(19(25)23-13-7-3-1-4-8-13)16(12-18(17)22)20(26)24-14-9-5-2-6-10-14/h11-14H,1-10H2,(H,23,25)(H,24,26).
What are the key properties of 4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide?
4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide has a molecular weight of 397.35 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide is sourced from PubChem (CID 23880547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).