3-bromo-N-[3-[ethyl(pyridin-3-yl)amino]phenyl]benzamide

C20H18BrN3O — CID 58337764

IUPAC3-bromo-N-[3-[ethyl(pyridin-3-yl)amino]phenyl]benzamide
SMILESCCN(c1cccnc1)c1cccc(NC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C20H18BrN3O/c1-2-24(19-10-5-11-22-14-19)18-9-4-8-17(13-18)23-20(25)15-6-3-7-16(21)12-15/h3-14H,2H2,1H3,(H,23,25)
InChIKeyTWHRPKJPXNACSY-UHFFFAOYSA-N
MW396.29 g/mol
LogP5.25
Rot. Bonds5

About 3-bromo-N-[3-[ethyl(pyridin-3-yl)amino]phenyl]benzamide

3-bromo-N-[3-[ethyl(pyridin-3-yl)amino]phenyl]benzamide (PubChem CID 58337764) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is 3-bromo-N-[3-[ethyl(pyridin-3-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[3-[ethyl(pyridin-3-yl)amino]phenyl]benzamide
PubChem CID58337764
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC Name3-bromo-N-[3-[ethyl(pyridin-3-yl)amino]phenyl]benzamide
SMILESCCN(c1cccnc1)c1cccc(NC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C20H18BrN3O/c1-2-24(19-10-5-11-22-14-19)18-9-4-8-17(13-18)23-20(25)15-6-3-7-16(21)12-15/h3-14H,2H2,1H3,(H,23,25)
InChIKeyTWHRPKJPXNACSY-UHFFFAOYSA-N
XLogP5.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.29
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-[3-[ethyl(pyridin-3-yl)amino]phenyl]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-chloro-N-[3-[propyl(pyridin-3-yl)amino]phenyl]benzamide
CID 58337623
3-bromo-N-pyridin-4-ylbenzamide
CID 4130300
3-(dimethylamino)-N-pyridin-3-ylbenzamide
CID 23793187
5-[(3-bromobenzoyl)amino]-2-fluoro-N-pyridin-3-ylbenzamide
CID 68847958
N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 78863694
3-bromo-N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 91248668
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
N-(3-bromophenyl)-3-[ethylsulfonyl(methyl)amino]benzamide
CID 100785831
3-[(3-bromobenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 3548444
N-(3-bromophenyl)-4-(diethylamino)benzamide
CID 690499
N-(3-acetamidophenyl)-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109243646
N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705521

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-[ethyl(pyridin-3-yl)amino]phenyl]benzamide?
The IUPAC name of 3-bromo-N-[3-[ethyl(pyridin-3-yl)amino]phenyl]benzamide (CID 58337764) is 3-bromo-N-[3-[ethyl(pyridin-3-yl)amino]phenyl]benzamide.
What is the SMILES notation for 3-bromo-N-[3-[ethyl(pyridin-3-yl)amino]phenyl]benzamide?
The canonical SMILES for 3-bromo-N-[3-[ethyl(pyridin-3-yl)amino]phenyl]benzamide is CCN(c1cccnc1)c1cccc(NC(=O)c2cccc(Br)c2)c1.
What is the InChIKey of 3-bromo-N-[3-[ethyl(pyridin-3-yl)amino]phenyl]benzamide?
The InChIKey is TWHRPKJPXNACSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-2-24(19-10-5-11-22-14-19)18-9-4-8-17(13-18)23-20(25)15-6-3-7-16(21)12-15/h3-14H,2H2,1H3,(H,23,25).
What are the key properties of 3-bromo-N-[3-[ethyl(pyridin-3-yl)amino]phenyl]benzamide?
3-bromo-N-[3-[ethyl(pyridin-3-yl)amino]phenyl]benzamide has a molecular weight of 396.29 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-[ethyl(pyridin-3-yl)amino]phenyl]benzamide is sourced from PubChem (CID 58337764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).