5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide

C15H23ClN2O2 — CID 104765587

IUPAC5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NCCOC(C)C
InChIInChI=1S/C15H23ClN2O2/c1-4-7-17-14-6-5-12(16)10-13(14)15(19)18-8-9-20-11(2)3/h5-6,10-11,17H,4,7-9H2,1-3H3,(H,18,19)
InChIKeyFLWRXFZMLSLTRL-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.32
Rot. Bonds8

About 5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide

5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide (PubChem CID 104765587) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide
PubChem CID104765587
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NCCOC(C)C
InChIInChI=1S/C15H23ClN2O2/c1-4-7-17-14-6-5-12(16)10-13(14)15(19)18-8-9-20-11(2)3/h5-6,10-11,17H,4,7-9H2,1-3H3,(H,18,19)
InChIKeyFLWRXFZMLSLTRL-UHFFFAOYSA-N
XLogP3.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-(ethylamino)-N-(4-propan-2-yloxybutyl)benzamide
CID 103529977
5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 55042884
5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 63227613
5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55042381
5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)benzamide
CID 62169913
5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide
CID 62177457
5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)benzamide
CID 65236480
5-chloro-N-[1-(dimethylamino)propan-2-yl]-2-(propylamino)benzamide
CID 82949522
5-chloro-N-(2-methoxyethyl)-N-methyl-2-(propylamino)benzamide
CID 62178653
2-(ethylamino)-N-(2-propan-2-yloxyethyl)benzamide
CID 113450457
5-chloro-N-hexan-3-yl-2-(propylamino)benzamide
CID 63498965
5-chloro-N-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 62170333

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide?
The IUPAC name of 5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide (CID 104765587) is 5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide.
What is the SMILES notation for 5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide?
The canonical SMILES for 5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide is CCCNc1ccc(Cl)cc1C(=O)NCCOC(C)C.
What is the InChIKey of 5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide?
The InChIKey is FLWRXFZMLSLTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-4-7-17-14-6-5-12(16)10-13(14)15(19)18-8-9-20-11(2)3/h5-6,10-11,17H,4,7-9H2,1-3H3,(H,18,19).
What are the key properties of 5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide?
5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide has a molecular weight of 298.81 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide is sourced from PubChem (CID 104765587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).