3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide

C14H14BrN3O — CID 107813259

IUPAC3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Br)c(N)c1)c1ccccn1
InChIInChI=1S/C14H14BrN3O/c1-9(13-4-2-3-7-17-13)18-14(19)10-5-6-11(15)12(16)8-10/h2-9H,16H2,1H3,(H,18,19)/t9-/m1/s1
InChIKeyLXRUPQHGKIPRDW-SECBINFHSA-N
MW320.19 g/mol
LogP2.92
Rot. Bonds3

About 3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide

3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide (PubChem CID 107813259) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide
PubChem CID107813259
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(Br)c(N)c1)c1ccccn1
InChIInChI=1S/C14H14BrN3O/c1-9(13-4-2-3-7-17-13)18-14(19)10-5-6-11(15)12(16)8-10/h2-9H,16H2,1H3,(H,18,19)/t9-/m1/s1
InChIKeyLXRUPQHGKIPRDW-SECBINFHSA-N
XLogP2.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-4-bromo-N-[(1R)-1-pyridin-2-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

3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 43524264
4-amino-3-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81407020
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
3-amino-4-bromo-N-(1-phenylethyl)benzamide
CID 61090554
3-amino-5-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 60862531
4-(methylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168146
N-[(1S)-1-pyridin-2-ylethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999250
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide
CID 103826399
2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 62154959
4-(dimethylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 25337085
3-acetamido-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 41042353

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The IUPAC name of 3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide (CID 107813259) is 3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The canonical SMILES for 3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide is C[C@@H](NC(=O)c1ccc(Br)c(N)c1)c1ccccn1.
What is the InChIKey of 3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
The InChIKey is LXRUPQHGKIPRDW-SECBINFHSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9(13-4-2-3-7-17-13)18-14(19)10-5-6-11(15)12(16)8-10/h2-9H,16H2,1H3,(H,18,19)/t9-/m1/s1.
What are the key properties of 3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide?
3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide has a molecular weight of 320.19 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide is sourced from PubChem (CID 107813259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).