3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,3-dichlorophenyl)propanamide

C19H24Cl2N2O2 — CID 113116857

IUPAC3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,3-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(Cl)c1Cl)CCC1=CCCCC1
InChIInChI=1S/C19H24Cl2N2O2/c1-14(24)23(12-10-15-6-3-2-4-7-15)13-11-18(25)22-17-9-5-8-16(20)19(17)21/h5-6,8-9H,2-4,7,10-13H2,1H3,(H,22,25)
InChIKeyGUNDLWAQMIJHBJ-UHFFFAOYSA-N
MW383.32 g/mol
LogP5.06
Rot. Bonds7

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

3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,3-dichlorophenyl)propanamide (PubChem CID 113116857) has the molecular formula C19H24Cl2N2O2 and a molecular weight of 383.32 g/mol. Its IUPAC name is 3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,3-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,3-dichlorophenyl)propanamide
PubChem CID113116857
Molecular FormulaC19H24Cl2N2O2
Molecular Weight383.32 g/mol
Exact Mass382.12
IUPAC Name3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,3-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(Cl)c1Cl)CCC1=CCCCC1
InChIInChI=1S/C19H24Cl2N2O2/c1-14(24)23(12-10-15-6-3-2-4-7-15)13-11-18(25)22-17-9-5-8-16(20)19(17)21/h5-6,8-9H,2-4,7,10-13H2,1H3,(H,22,25)
InChIKeyGUNDLWAQMIJHBJ-UHFFFAOYSA-N
XLogP5.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.32
LogP ≤ 55.06
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-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,6-dichlorophenyl)propanamide
CID 113116856
3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113116811
ethyl 2-[3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]propanoylamino]benzoate
CID 113116860
3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)propanamide
CID 113116812
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113053069
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 113159715
2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2,3-dichlorophenyl)acetamide
CID 113165529
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide
CID 113119222
N-(3-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]acetamide
CID 54815757
3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 113115032
3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116736
3-(N-acetyl-2-chloroanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113127020

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,3-dichlorophenyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,3-dichlorophenyl)propanamide (CID 113116857) is 3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,3-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,3-dichlorophenyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,3-dichlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1cccc(Cl)c1Cl)CCC1=CCCCC1.
What is the InChIKey of 3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,3-dichlorophenyl)propanamide?
The InChIKey is GUNDLWAQMIJHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O2/c1-14(24)23(12-10-15-6-3-2-4-7-15)13-11-18(25)22-17-9-5-8-16(20)19(17)21/h5-6,8-9H,2-4,7,10-13H2,1H3,(H,22,25).
What are the key properties of 3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,3-dichlorophenyl)propanamide?
3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,3-dichlorophenyl)propanamide has a molecular weight of 383.32 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(2,3-dichlorophenyl)propanamide is sourced from PubChem (CID 113116857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).