5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide

C21H25BrN2O3 — CID 17050842

IUPAC5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1OCC(C)C
InChIInChI=1S/C21H25BrN2O3/c1-4-11-23-20(25)16-7-5-6-8-18(16)24-21(26)17-12-15(22)9-10-19(17)27-13-14(2)3/h5-10,12,14H,4,11,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyXDHJKQPDTCVSPI-UHFFFAOYSA-N
MW433.35 g/mol
LogP4.88
Rot. Bonds8

About 5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide

5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide (PubChem CID 17050842) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is 5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide
PubChem CID17050842
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC Name5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1OCC(C)C
InChIInChI=1S/C21H25BrN2O3/c1-4-11-23-20(25)16-7-5-6-8-18(16)24-21(26)17-12-15(22)9-10-19(17)27-13-14(2)3/h5-10,12,14H,4,11,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyXDHJKQPDTCVSPI-UHFFFAOYSA-N
XLogP4.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]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-bromo-N-[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 17050838
5-bromo-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 17050831
5-bromo-N-[2-(ethylcarbamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357318
5-bromo-2-butoxy-N-[[2-(propylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17350516
5-bromo-2-(2-methylpropoxy)-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130986
5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17150403
2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide
CID 17140344
2-[[5-bromo-2-(3-methylbutoxy)benzoyl]amino]benzoic acid
CID 54856145
5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17352958
5-bromo-2-butoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17350044
5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide
CID 17350057
5-bromo-2-ethoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17074427

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide (CID 17050842) is 5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide is CCCNC(=O)c1ccccc1NC(=O)c1cc(Br)ccc1OCC(C)C.
What is the InChIKey of 5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide?
The InChIKey is XDHJKQPDTCVSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-4-11-23-20(25)16-7-5-6-8-18(16)24-21(26)17-12-15(22)9-10-19(17)27-13-14(2)3/h5-10,12,14H,4,11,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide?
5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide has a molecular weight of 433.35 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylpropoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17050842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).