4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide

C14H19BrN2O — CID 106608037

IUPAC4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCc1cc(Br)ccc1C(=O)N(C)CC1CCCN1
InChIInChI=1S/C14H19BrN2O/c1-10-8-11(15)5-6-13(10)14(18)17(2)9-12-4-3-7-16-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3
InChIKeyZEKQBPZRCMEDCS-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.58
Rot. Bonds3

About 4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide

4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106608037) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106608037
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESCc1cc(Br)ccc1C(=O)N(C)CC1CCCN1
InChIInChI=1S/C14H19BrN2O/c1-10-8-11(15)5-6-13(10)14(18)17(2)9-12-4-3-7-16-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3
InChIKeyZEKQBPZRCMEDCS-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)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-2-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607717
2-bromo-N,5-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607476
2-hydroxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608014
2-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzamide
CID 106607367
4-bromo-2-hydroxy-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609548
2-ethyl-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607295
3-chloro-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107098400
2-fluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607793
2-bromo-N-methyl-5-nitro-N-(piperidin-2-ylmethyl)benzamide
CID 106627285
2-bromo-6-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607384
(3S)-3-[[(4-bromo-2-methylbenzoyl)-methylamino]methyl]pyrrolidine-1-carboxylic acid
CID 71270727
N-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119780998

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106608037) is 4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide is Cc1cc(Br)ccc1C(=O)N(C)CC1CCCN1.
What is the InChIKey of 4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is ZEKQBPZRCMEDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-8-11(15)5-6-13(10)14(18)17(2)9-12-4-3-7-16-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3.
What are the key properties of 4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide?
4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 311.22 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106608037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).