2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide

C12H14BrClN2O — CID 103806355

IUPAC2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCN1)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H14BrClN2O/c13-11-6-8(14)3-4-10(11)12(17)16-7-9-2-1-5-15-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17)
InChIKeyPZDWUPKYELCISA-UHFFFAOYSA-N
MW317.61 g/mol
LogP2.58
Rot. Bonds3

About 2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide

2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 103806355) has the molecular formula C12H14BrClN2O and a molecular weight of 317.61 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID103806355
Molecular FormulaC12H14BrClN2O
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC Name2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCN1)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H14BrClN2O/c13-11-6-8(14)3-4-10(11)12(17)16-7-9-2-1-5-15-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17)
InChIKeyPZDWUPKYELCISA-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.61
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4-chloro-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

2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
5-chloro-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513727
2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542167
2-bromo-4-chloro-N-(2-methylpiperidin-3-yl)benzamide
CID 106813439
5-chloro-2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510110
2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509719
2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-carboxamide
CID 103806352
2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971649
6-chloro-2-cyclopropyl-N-(pyrrolidin-2-ylmethyl)quinoline-4-carboxamide
CID 119512896
2,3,4-trifluoro-N-(piperidin-2-ylmethyl)benzamide
CID 79749991
5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971959
5-chloro-2-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955212

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide (CID 103806355) is 2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide is O=C(NCC1CCCN1)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is PZDWUPKYELCISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O/c13-11-6-8(14)3-4-10(11)12(17)16-7-9-2-1-5-15-9/h3-4,6,9,15H,1-2,5,7H2,(H,16,17).
What are the key properties of 2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide?
2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 317.61 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 103806355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).