3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide

C14H19BrN2O — CID 51710424

IUPAC3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
SMILESC[C@H](CNC(=O)c1cccc(Br)c1)N1CCCC1
InChIInChI=1S/C14H19BrN2O/c1-11(17-7-2-3-8-17)10-16-14(18)12-5-4-6-13(15)9-12/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyNKDRFXFSYICLKP-LLVKDONJSA-N
MW311.22 g/mol
LogP2.66
Rot. Bonds4

About 3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide

3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide (PubChem CID 51710424) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
PubChem CID51710424
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
SMILESC[C@H](CNC(=O)c1cccc(Br)c1)N1CCCC1
InChIInChI=1S/C14H19BrN2O/c1-11(17-7-2-3-8-17)10-16-14(18)12-5-4-6-13(15)9-12/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,16,18)/t11-/m1/s1
InChIKeyNKDRFXFSYICLKP-LLVKDONJSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]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

3-phenyl-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502353
3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide
CID 61140955
4-bromo-3-chloro-N-(2-piperidin-1-ylpropyl)benzamide
CID 80973531
2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide
CID 103754766
3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 98727874
3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005762
3-bromo-N-(2-methylbutyl)benzamide
CID 62693100
N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide
CID 93157610
N-(2-pyrrolidin-1-ylpropyl)-1H-indole-6-carboxamide
CID 78975173
4-phenyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157618
4-phenyl-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157619
3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide
CID 110301682

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide?
The IUPAC name of 3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide (CID 51710424) is 3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide?
The canonical SMILES for 3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide is C[C@H](CNC(=O)c1cccc(Br)c1)N1CCCC1.
What is the InChIKey of 3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide?
The InChIKey is NKDRFXFSYICLKP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-11(17-7-2-3-8-17)10-16-14(18)12-5-4-6-13(15)9-12/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,16,18)/t11-/m1/s1.
What are the key properties of 3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide?
3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide has a molecular weight of 311.22 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide is sourced from PubChem (CID 51710424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).