N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide

C22H21BrN2O — CID 84554489

IUPACN-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C22H21BrN2O/c1-2-17-8-3-4-12-21(17)24-15-16-7-5-9-18(13-16)22(26)25-20-11-6-10-19(23)14-20/h3-14,24H,2,15H2,1H3,(H,25,26)
InChIKeyDBGBSTAVWNVWKH-UHFFFAOYSA-N
MW409.33 g/mol
LogP5.88
Rot. Bonds6

About N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide

N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide (PubChem CID 84554489) has the molecular formula C22H21BrN2O and a molecular weight of 409.33 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide
PubChem CID84554489
Molecular FormulaC22H21BrN2O
Molecular Weight409.33 g/mol
Exact Mass408.08
IUPAC NameN-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C22H21BrN2O/c1-2-17-8-3-4-12-21(17)24-15-16-7-5-9-18(13-16)22(26)25-20-11-6-10-19(23)14-20/h3-14,24H,2,15H2,1H3,(H,25,26)
InChIKeyDBGBSTAVWNVWKH-UHFFFAOYSA-N
XLogP5.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.33
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoic acid
CID 84554499
N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554547
butyl 3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate
CID 84554578
methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate
CID 84554562
3-[(2-ethylanilino)methyl]-N-(3-fluoro-4-nitrophenyl)benzamide
CID 84554658
3-[(2-ethylanilino)methyl]-N-(4-sulfamoylphenyl)benzamide
CID 84554523
[4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]phenyl] thiocyanate
CID 84554554
N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554469
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-4-methylbenzoic acid
CID 84554573
3-bromo-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 54790995
N-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109243423
3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 84558207

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide?
The IUPAC name of N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide (CID 84554489) is N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide.
What is the SMILES notation for N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide?
The canonical SMILES for N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide is CCc1ccccc1NCc1cccc(C(=O)Nc2cccc(Br)c2)c1.
What is the InChIKey of N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide?
The InChIKey is DBGBSTAVWNVWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O/c1-2-17-8-3-4-12-21(17)24-15-16-7-5-9-18(13-16)22(26)25-20-11-6-10-19(23)14-20/h3-14,24H,2,15H2,1H3,(H,25,26).
What are the key properties of N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide?
N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide has a molecular weight of 409.33 g/mol, XLogP of 5.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide is sourced from PubChem (CID 84554489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).