2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide

C14H19BrN2O — CID 104971649

IUPAC2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)NCC[C@H]2CCCN2)c(Br)c1
InChIInChI=1S/C14H19BrN2O/c1-10-4-5-12(13(15)9-10)14(18)17-8-6-11-3-2-7-16-11/h4-5,9,11,16H,2-3,6-8H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyKVKOKJWTPRNOON-LLVKDONJSA-N
MW311.22 g/mol
LogP2.63
Rot. Bonds4

About 2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide

2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide (PubChem CID 104971649) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
PubChem CID104971649
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)NCC[C@H]2CCCN2)c(Br)c1
InChIInChI=1S/C14H19BrN2O/c1-10-4-5-12(13(15)9-10)14(18)17-8-6-11-3-2-7-16-11/h4-5,9,11,16H,2-3,6-8H2,1H3,(H,17,18)/t11-/m1/s1
InChIKeyKVKOKJWTPRNOON-LLVKDONJSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]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

2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793749
2-hydroxy-5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972264
2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793684
4-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114794001
2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
CID 104955056
5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793819
2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793797
3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793555
5-bromo-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972072
2-bromo-5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971622
2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608591

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide?
The IUPAC name of 2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide (CID 104971649) is 2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide?
The canonical SMILES for 2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide is Cc1ccc(C(=O)NCC[C@H]2CCCN2)c(Br)c1.
What is the InChIKey of 2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide?
The InChIKey is KVKOKJWTPRNOON-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-4-5-12(13(15)9-10)14(18)17-8-6-11-3-2-7-16-11/h4-5,9,11,16H,2-3,6-8H2,1H3,(H,17,18)/t11-/m1/s1.
What are the key properties of 2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide?
2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide has a molecular weight of 311.22 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide is sourced from PubChem (CID 104971649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).