2-bromo-5-methoxy-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide

C19H21BrN2O2 — CID 90619796

IUPAC2-bromo-5-methoxy-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCC2CCCN2c2ccccc2)c1
InChIInChI=1S/C19H21BrN2O2/c1-24-16-9-10-18(20)17(12-16)19(23)21-13-15-8-5-11-22(15)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,15H,5,8,11,13H2,1H3,(H,21,23)
InChIKeyBRTNGXULPQHNPA-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.86
Rot. Bonds5

About 2-bromo-5-methoxy-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide

2-bromo-5-methoxy-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 90619796) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
PubChem CID90619796
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name2-bromo-5-methoxy-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCC2CCCN2c2ccccc2)c1
InChIInChI=1S/C19H21BrN2O2/c1-24-16-9-10-18(20)17(12-16)19(23)21-13-15-8-5-11-22(15)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,15H,5,8,11,13H2,1H3,(H,21,23)
InChIKeyBRTNGXULPQHNPA-UHFFFAOYSA-N
XLogP3.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-methoxy-N-[(1-phenylpyrrolidin-2-yl)methyl]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-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 73168268
2-bromo-N-[(1-ethylpiperidin-4-yl)methyl]-5-methoxybenzamide
CID 61383519
2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 90619767
N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propan-2-yloxybenzamide
CID 90619775
2-ethylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 90619780
6-methyl-5-[(1-phenylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 154868469
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide
CID 99883062
2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 23390396
2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 113259158
1-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide
CID 90619862
2-(2-methoxyphenoxy)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]acetamide
CID 99883057
2-bromo-N-(2-cyclohexyloxyethyl)-5-methoxybenzamide
CID 61150115

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide (CID 90619796) is 2-bromo-5-methoxy-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide is COc1ccc(Br)c(C(=O)NCC2CCCN2c2ccccc2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is BRTNGXULPQHNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-24-16-9-10-18(20)17(12-16)19(23)21-13-15-8-5-11-22(15)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,15H,5,8,11,13H2,1H3,(H,21,23).
What are the key properties of 2-bromo-5-methoxy-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide?
2-bromo-5-methoxy-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 389.29 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 90619796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).