4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide

C14H19BrN2O — CID 18367611

IUPAC4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCc1cc(C(=O)NCCN2CCCC2)ccc1Br
InChIInChI=1S/C14H19BrN2O/c1-11-10-12(4-5-13(11)15)14(18)16-6-9-17-7-2-3-8-17/h4-5,10H,2-3,6-9H2,1H3,(H,16,18)
InChIKeyWOJCAJUWLVTIEW-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.58
Rot. Bonds4

About 4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide

4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 18367611) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID18367611
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCc1cc(C(=O)NCCN2CCCC2)ccc1Br
InChIInChI=1S/C14H19BrN2O/c1-11-10-12(4-5-13(11)15)14(18)16-6-9-17-7-2-3-8-17/h4-5,10H,2-3,6-9H2,1H3,(H,16,18)
InChIKeyWOJCAJUWLVTIEW-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)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

4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516
3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 79467099
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
4-hydrazinyl-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63212242
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
1-(4-bromo-3-methylphenyl)-5-methyl-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 46858193
N-[2-(azepan-1-yl)ethyl]-2-bromo-5-methylbenzamide
CID 80979640
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 55723788
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
4-bromo-N-ethyl-3-methylbenzamide
CID 18712023
1,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)indole-5-carboxamide
CID 20940028

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 18367611) is 4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide is Cc1cc(C(=O)NCCN2CCCC2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is WOJCAJUWLVTIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-11-10-12(4-5-13(11)15)14(18)16-6-9-17-7-2-3-8-17/h4-5,10H,2-3,6-9H2,1H3,(H,16,18).
What are the key properties of 4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide?
4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 311.22 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 18367611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).