N-[2-(3,5-dichloroanilino)-2-oxoethyl]cyclohexanecarboxamide

C15H18Cl2N2O2 — CID 2292908

IUPACN-[2-(3,5-dichloroanilino)-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H18Cl2N2O2/c16-11-6-12(17)8-13(7-11)19-14(20)9-18-15(21)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,18,21)(H,19,20)
InChIKeyMAZVIDCZAAUICH-UHFFFAOYSA-N
MW329.23 g/mol
LogP3.63
Rot. Bonds4

About N-[2-(3,5-dichloroanilino)-2-oxoethyl]cyclohexanecarboxamide

N-[2-(3,5-dichloroanilino)-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 2292908) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is N-[2-(3,5-dichloroanilino)-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dichloroanilino)-2-oxoethyl]cyclohexanecarboxamide
PubChem CID2292908
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC NameN-[2-(3,5-dichloroanilino)-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H18Cl2N2O2/c16-11-6-12(17)8-13(7-11)19-14(20)9-18-15(21)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,18,21)(H,19,20)
InChIKeyMAZVIDCZAAUICH-UHFFFAOYSA-N
XLogP3.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichloroanilino)-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(3,5-dichloroanilino)-2-oxoethyl]cyclohexanecarboxamide (CID 2292908) is N-[2-(3,5-dichloroanilino)-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(3,5-dichloroanilino)-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(3,5-dichloroanilino)-2-oxoethyl]cyclohexanecarboxamide is O=C(CNC(=O)C1CCCCC1)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[2-(3,5-dichloroanilino)-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is MAZVIDCZAAUICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c16-11-6-12(17)8-13(7-11)19-14(20)9-18-15(21)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-(3,5-dichloroanilino)-2-oxoethyl]cyclohexanecarboxamide?
N-[2-(3,5-dichloroanilino)-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 329.23 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichloroanilino)-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 2292908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).