3-(N-acetyl-3,5-dichloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide

C19H24Cl2N2O2 — CID 113134059

IUPAC3-(N-acetyl-3,5-dichloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCC1=CCCCC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H24Cl2N2O2/c1-14(24)23(18-12-16(20)11-17(21)13-18)10-8-19(25)22-9-7-15-5-3-2-4-6-15/h5,11-13H,2-4,6-10H2,1H3,(H,22,25)
InChIKeyUALOWUOIQBOOLZ-UHFFFAOYSA-N
MW383.32 g/mol
LogP4.74
Rot. Bonds7

About 3-(N-acetyl-3,5-dichloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide

3-(N-acetyl-3,5-dichloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (PubChem CID 113134059) has the molecular formula C19H24Cl2N2O2 and a molecular weight of 383.32 g/mol. Its IUPAC name is 3-(N-acetyl-3,5-dichloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,5-dichloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
PubChem CID113134059
Molecular FormulaC19H24Cl2N2O2
Molecular Weight383.32 g/mol
Exact Mass382.12
IUPAC Name3-(N-acetyl-3,5-dichloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCC1=CCCCC1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H24Cl2N2O2/c1-14(24)23(18-12-16(20)11-17(21)13-18)10-8-19(25)22-9-7-15-5-3-2-4-6-15/h5,11-13H,2-4,6-10H2,1H3,(H,22,25)
InChIKeyUALOWUOIQBOOLZ-UHFFFAOYSA-N
XLogP4.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(N-acetyl-3-fluoroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113132345
3-(N-acetyl-2-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113127020
3-(N-acetyl-2,6-difluoroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113135335
3-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113129538
3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 100588830
2-(N-acetyl-3,4-dimethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113168247
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166855
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113144180
3-(N-acetyl-3,5-dichloroanilino)-N-(2-methylpropyl)propanamide
CID 113134052
N-[2-(cyclohexen-1-yl)ethyl]-3-(N-ethylanilino)propanamide
CID 109014714
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 4277806
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113121461

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,5-dichloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The IUPAC name of 3-(N-acetyl-3,5-dichloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (CID 113134059) is 3-(N-acetyl-3,5-dichloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-3,5-dichloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(N-acetyl-3,5-dichloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is CC(=O)N(CCC(=O)NCCC1=CCCCC1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(N-acetyl-3,5-dichloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The InChIKey is UALOWUOIQBOOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O2/c1-14(24)23(18-12-16(20)11-17(21)13-18)10-8-19(25)22-9-7-15-5-3-2-4-6-15/h5,11-13H,2-4,6-10H2,1H3,(H,22,25).
What are the key properties of 3-(N-acetyl-3,5-dichloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
3-(N-acetyl-3,5-dichloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide has a molecular weight of 383.32 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,5-dichloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is sourced from PubChem (CID 113134059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).