N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide

C16H20Cl2N2O — CID 108993986

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide
SMILESO=C(CNc1c(Cl)cccc1Cl)NCCC1=CCCCC1
InChIInChI=1S/C16H20Cl2N2O/c17-13-7-4-8-14(18)16(13)20-11-15(21)19-10-9-12-5-2-1-3-6-12/h4-5,7-8,20H,1-3,6,9-11H2,(H,19,21)
InChIKeyWBSWNQUTLCISIS-UHFFFAOYSA-N
MW327.25 g/mol
LogP4.41
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide (PubChem CID 108993986) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide
PubChem CID108993986
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide
SMILESO=C(CNc1c(Cl)cccc1Cl)NCCC1=CCCCC1
InChIInChI=1S/C16H20Cl2N2O/c17-13-7-4-8-14(18)16(13)20-11-15(21)19-10-9-12-5-2-1-3-6-12/h4-5,7-8,20H,1-3,6,9-11H2,(H,19,21)
InChIKeyWBSWNQUTLCISIS-UHFFFAOYSA-N
XLogP4.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide
CID 54819191
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393
2-(4-chloro-3-fluoroanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 55898788
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4,6-trimethylanilino)acetamide
CID 54811825
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2483307
2-(2-bromoanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 54816624
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
2-(4-chlorophenyl)-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]acetamide
CID 112991074
N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-2-ylamino)acetamide
CID 31665923
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54835510
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
2-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 108993859

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide (CID 108993986) is N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide is O=C(CNc1c(Cl)cccc1Cl)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide?
The InChIKey is WBSWNQUTLCISIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c17-13-7-4-8-14(18)16(13)20-11-15(21)19-10-9-12-5-2-1-3-6-12/h4-5,7-8,20H,1-3,6,9-11H2,(H,19,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide has a molecular weight of 327.25 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide is sourced from PubChem (CID 108993986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).