4-bromo-N-(1-pyridin-3-ylethyl)benzamide

C14H13BrN2O — CID 18162969

IUPAC4-bromo-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1)c1cccnc1
InChIInChI=1S/C14H13BrN2O/c1-10(12-3-2-8-16-9-12)17-14(18)11-4-6-13(15)7-5-11/h2-10H,1H3,(H,17,18)
InChIKeyQRFFDHMTEDWGOX-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.34
Rot. Bonds3

About 4-bromo-N-(1-pyridin-3-ylethyl)benzamide

4-bromo-N-(1-pyridin-3-ylethyl)benzamide (PubChem CID 18162969) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 4-bromo-N-(1-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(1-pyridin-3-ylethyl)benzamide
PubChem CID18162969
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name4-bromo-N-(1-pyridin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1ccc(Br)cc1)c1cccnc1
InChIInChI=1S/C14H13BrN2O/c1-10(12-3-2-8-16-9-12)17-14(18)11-4-6-13(15)7-5-11/h2-10H,1H3,(H,17,18)
InChIKeyQRFFDHMTEDWGOX-UHFFFAOYSA-N
XLogP3.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-(1-pyridin-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

N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
5-bromo-N-[(1R)-1-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 51546891
4-(dimethylamino)-N-(1-pyridin-3-ylethyl)benzamide
CID 51192997
5-bromo-2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 103604669
3,4-difluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 110724487
6-fluoro-N-(1-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 63971799
1-(4-bromophenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 79690838
3-(1-pyridin-3-ylethylcarbamoyl)benzoic acid
CID 43523910
4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 39952477
4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 51193149
3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 54861340

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-pyridin-3-ylethyl)benzamide?
The IUPAC name of 4-bromo-N-(1-pyridin-3-ylethyl)benzamide (CID 18162969) is 4-bromo-N-(1-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(1-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 4-bromo-N-(1-pyridin-3-ylethyl)benzamide is CC(NC(=O)c1ccc(Br)cc1)c1cccnc1.
What is the InChIKey of 4-bromo-N-(1-pyridin-3-ylethyl)benzamide?
The InChIKey is QRFFDHMTEDWGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-10(12-3-2-8-16-9-12)17-14(18)11-4-6-13(15)7-5-11/h2-10H,1H3,(H,17,18).
What are the key properties of 4-bromo-N-(1-pyridin-3-ylethyl)benzamide?
4-bromo-N-(1-pyridin-3-ylethyl)benzamide has a molecular weight of 305.18 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 18162969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).