N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide

C17H22Cl2N2O2 — CID 113063535

IUPACN-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H22Cl2N2O2/c1-12(22)21(14-7-8-15(18)16(19)11-14)10-9-20-17(23)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,20,23)
InChIKeySKMDLLIGKBIAAX-UHFFFAOYSA-N
MW357.28 g/mol
LogP4.04
Rot. Bonds5

About N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide

N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide (PubChem CID 113063535) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide
PubChem CID113063535
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC NameN-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H22Cl2N2O2/c1-12(22)21(14-7-8-15(18)16(19)11-14)10-9-20-17(23)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,20,23)
InChIKeySKMDLLIGKBIAAX-UHFFFAOYSA-N
XLogP4.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide
CID 113059565
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide
CID 113059086
methyl N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]carbamate
CID 113063574
N-[2-(N,4-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061690
3-(N-acetyl-3,4-dichloroanilino)-N-cyclohexylpropanamide
CID 113133736
N-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide
CID 113062722
N-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061599
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide
CID 113062418
N-[2-(N-acetyl-2-ethylanilino)ethyl]cyclohexanecarboxamide
CID 113058289
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide
CID 113061127
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclobutanecarboxamide
CID 113062438
methyl N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]carbamate
CID 113060022

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide (CID 113063535) is N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide is CC(=O)N(CCNC(=O)C1CCCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide?
The InChIKey is SKMDLLIGKBIAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c1-12(22)21(14-7-8-15(18)16(19)11-14)10-9-20-17(23)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10H2,1H3,(H,20,23).
What are the key properties of N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide?
N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide has a molecular weight of 357.28 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 113063535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).