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

C14H14BrN3O — CID 81409737

IUPAC4-amino-3-bromo-N-[(1R)-1-pyridin-4-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(N)c(Br)c1)c1ccncc1
InChIInChI=1S/C14H14BrN3O/c1-9(10-4-6-17-7-5-10)18-14(19)11-2-3-13(16)12(15)8-11/h2-9H,16H2,1H3,(H,18,19)/t9-/m1/s1
InChIKeyOJXIZRGMINQVPV-SECBINFHSA-N
MW320.19 g/mol
LogP2.92
Rot. Bonds3

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

4-amino-3-bromo-N-[(1R)-1-pyridin-4-ylethyl]benzamide (PubChem CID 81409737) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-amino-3-bromo-N-[(1R)-1-pyridin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-[(1R)-1-pyridin-4-ylethyl]benzamide
PubChem CID81409737
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name4-amino-3-bromo-N-[(1R)-1-pyridin-4-ylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(N)c(Br)c1)c1ccncc1
InChIInChI=1S/C14H14BrN3O/c1-9(10-4-6-17-7-5-10)18-14(19)11-2-3-13(16)12(15)8-11/h2-9H,16H2,1H3,(H,18,19)/t9-/m1/s1
InChIKeyOJXIZRGMINQVPV-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'}

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Related Compounds

4-amino-3-bromo-N-[(1S)-1-(3-methylphenyl)ethyl]benzamide
CID 81360914
4-amino-3-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372627
4-propan-2-yl-N-(1-pyridin-4-ylethyl)benzamide
CID 17330741
3-amino-4-bromo-N-(1-phenylethyl)benzamide
CID 61090554
3,5-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide
CID 103891609
N-[1-(4-aminophenyl)ethyl]pyridine-4-carboxamide
CID 43297585
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
4-amino-3-bromo-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81379045
N-[1-(4-aminophenyl)ethyl]-3-bromo-4-chlorobenzamide
CID 107990822
3-fluoro-4-nitro-N-(1-pyridin-4-ylethyl)benzamide
CID 62681450
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
4-nitro-N-(1-pyridin-4-ylethyl)benzamide
CID 17330712

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
The IUPAC name of 4-amino-3-bromo-N-[(1R)-1-pyridin-4-ylethyl]benzamide (CID 81409737) is 4-amino-3-bromo-N-[(1R)-1-pyridin-4-ylethyl]benzamide.
What is the SMILES notation for 4-amino-3-bromo-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
The canonical SMILES for 4-amino-3-bromo-N-[(1R)-1-pyridin-4-ylethyl]benzamide is C[C@@H](NC(=O)c1ccc(N)c(Br)c1)c1ccncc1.
What is the InChIKey of 4-amino-3-bromo-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
The InChIKey is OJXIZRGMINQVPV-SECBINFHSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9(10-4-6-17-7-5-10)18-14(19)11-2-3-13(16)12(15)8-11/h2-9H,16H2,1H3,(H,18,19)/t9-/m1/s1.
What are the key properties of 4-amino-3-bromo-N-[(1R)-1-pyridin-4-ylethyl]benzamide?
4-amino-3-bromo-N-[(1R)-1-pyridin-4-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 4-amino-3-bromo-N-[(1R)-1-pyridin-4-ylethyl]benzamide is sourced from PubChem (CID 81409737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).