4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide

C13H16BrClN2O — CID 63630406

IUPAC4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCNC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H16BrClN2O/c14-10-1-2-11(12(15)7-10)13(18)17-6-4-9-3-5-16-8-9/h1-2,7,9,16H,3-6,8H2,(H,17,18)
InChIKeySABIBHFUIPLKNF-UHFFFAOYSA-N
MW331.64 g/mol
LogP2.83
Rot. Bonds4

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

4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 63630406) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID63630406
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC Name4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCNC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H16BrClN2O/c14-10-1-2-11(12(15)7-10)13(18)17-6-4-9-3-5-16-8-9/h1-2,7,9,16H,3-6,8H2,(H,17,18)
InChIKeySABIBHFUIPLKNF-UHFFFAOYSA-N
XLogP2.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-chloro-N-(2-pyrrolidin-3-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

2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146
2-chloro-4,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536489
4-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114794001
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 65311677
2,4-dichloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535242
4-bromo-2-chloro-N-piperidin-3-ylbenzamide
CID 63321001
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630238
2-chloro-5-methylsulfanyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536475
5-bromo-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119533543
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536472
2,5-dibromo-N-(2-pyrrolidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119536966

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 63630406) is 4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide is O=C(NCCC1CCNC1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is SABIBHFUIPLKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c14-10-1-2-11(12(15)7-10)13(18)17-6-4-9-3-5-16-8-9/h1-2,7,9,16H,3-6,8H2,(H,17,18).
What are the key properties of 4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide?
4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 331.64 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 63630406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).