N-(4-bromo-2-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide

C18H17BrClNO3 — CID 3898561

IUPACN-(4-bromo-2-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1ccc(Br)cc1Cl)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C18H17BrClNO3/c19-13-5-8-17(16(20)10-13)21-18(22)12-3-6-14(7-4-12)24-11-15-2-1-9-23-15/h3-8,10,15H,1-2,9,11H2,(H,21,22)
InChIKeyWSAFNMVTSDBPNT-UHFFFAOYSA-N
MW410.70 g/mol
LogP4.91
Rot. Bonds5

About N-(4-bromo-2-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide

N-(4-bromo-2-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 3898561) has the molecular formula C18H17BrClNO3 and a molecular weight of 410.70 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID3898561
Molecular FormulaC18H17BrClNO3
Molecular Weight410.70 g/mol
Exact Mass409.01
IUPAC NameN-(4-bromo-2-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(Nc1ccc(Br)cc1Cl)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C18H17BrClNO3/c19-13-5-8-17(16(20)10-13)21-18(22)12-3-6-14(7-4-12)24-11-15-2-1-9-23-15/h3-8,10,15H,1-2,9,11H2,(H,21,22)
InChIKeyWSAFNMVTSDBPNT-UHFFFAOYSA-N
XLogP4.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.70
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-2-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide (CID 3898561) is N-(4-bromo-2-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide is O=C(Nc1ccc(Br)cc1Cl)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is WSAFNMVTSDBPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrClNO3/c19-13-5-8-17(16(20)10-13)21-18(22)12-3-6-14(7-4-12)24-11-15-2-1-9-23-15/h3-8,10,15H,1-2,9,11H2,(H,21,22).
What are the key properties of N-(4-bromo-2-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide?
N-(4-bromo-2-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 410.70 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 3898561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).