4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)benzamide

C15H22Cl2N2O2 — CID 82812492

IUPAC4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)benzamide
SMILESCCCCCCN(CCO)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2O2/c1-2-3-4-5-6-19(7-8-20)15(21)11-9-12(16)14(18)13(17)10-11/h9-10,20H,2-8,18H2,1H3
InChIKeySIBZRDTUQLRZEM-UHFFFAOYSA-N
MW333.26 g/mol
LogP3.59
Rot. Bonds8

About 4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)benzamide

4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)benzamide (PubChem CID 82812492) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)benzamide
PubChem CID82812492
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)benzamide
SMILESCCCCCCN(CCO)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2O2/c1-2-3-4-5-6-19(7-8-20)15(21)11-9-12(16)14(18)13(17)10-11/h9-10,20H,2-8,18H2,1H3
InChIKeySIBZRDTUQLRZEM-UHFFFAOYSA-N
XLogP3.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)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

2,6-dichloro-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 61052289
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400
4-amino-3,5-dichloro-N-(2-hydroxyethyl)-N-methylbenzamide
CID 82832639
4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide
CID 81295569
4-amino-N,N-didodecylbenzamide
CID 5077826
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103853206
2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 114326080
4-amino-3,5-dichloro-N-octylbenzamide
CID 82832749
6-amino-N,N-dibutyl-5-chloropyridine-3-carboxamide
CID 55042069
4-amino-5-ethyl-N-hexyl-N-(2-hydroxyethyl)-1H-pyrazole-3-carboxamide
CID 62082355
3-amino-N,N-didecylbenzamide
CID 19389018
4-amino-3,5-dichloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 82833354

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)benzamide (CID 82812492) is 4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)benzamide is CCCCCCN(CCO)C(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)benzamide?
The InChIKey is SIBZRDTUQLRZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-2-3-4-5-6-19(7-8-20)15(21)11-9-12(16)14(18)13(17)10-11/h9-10,20H,2-8,18H2,1H3.
What are the key properties of 4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)benzamide?
4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)benzamide has a molecular weight of 333.26 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-hexyl-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 82812492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).