N-(2-bromophenyl)-2-(2-phenylethoxy)benzamide

C21H18BrNO2 — CID 19628130

IUPACN-(2-bromophenyl)-2-(2-phenylethoxy)benzamide
SMILESO=C(Nc1ccccc1Br)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C21H18BrNO2/c22-18-11-5-6-12-19(18)23-21(24)17-10-4-7-13-20(17)25-15-14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,23,24)
InChIKeyHDOBSKFJUMMJTR-UHFFFAOYSA-N
MW396.28 g/mol
LogP5.32
Rot. Bonds6

About N-(2-bromophenyl)-2-(2-phenylethoxy)benzamide

N-(2-bromophenyl)-2-(2-phenylethoxy)benzamide (PubChem CID 19628130) has the molecular formula C21H18BrNO2 and a molecular weight of 396.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2-phenylethoxy)benzamide
PubChem CID19628130
Molecular FormulaC21H18BrNO2
Molecular Weight396.28 g/mol
Exact Mass395.05
IUPAC NameN-(2-bromophenyl)-2-(2-phenylethoxy)benzamide
SMILESO=C(Nc1ccccc1Br)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C21H18BrNO2/c22-18-11-5-6-12-19(18)23-21(24)17-10-4-7-13-20(17)25-15-14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,23,24)
InChIKeyHDOBSKFJUMMJTR-UHFFFAOYSA-N
XLogP5.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.28
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromophenyl)-2-(2-phenylethoxy)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-[(2-bromophenyl)carbamothioyl]-2-(2-phenylethoxy)benzamide
CID 19628446
N-(2,5-dimethylphenyl)-2-(2-phenylethoxy)benzamide
CID 19628089
N-(2,6-dichlorophenyl)-2-(2-phenylethoxy)benzamide
CID 54785858
5-bromo-N-(2-fluorophenyl)-2-(2-phenylethoxy)benzamide
CID 17046174
N-[2-[(4-anilinophenyl)carbamoyl]phenyl]-5-bromo-2-(2-phenylethoxy)benzamide
CID 17046203
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131458
5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17150403
2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131528
2-[[2-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 19628378
N'-(2-chlorobenzoyl)-2-(2-phenylethoxy)benzohydrazide
CID 19628253
N-(4-anilinophenyl)-2-[[2-(2-phenylethoxy)benzoyl]carbamothioylamino]benzamide
CID 19628505

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2-phenylethoxy)benzamide?
The IUPAC name of N-(2-bromophenyl)-2-(2-phenylethoxy)benzamide (CID 19628130) is N-(2-bromophenyl)-2-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2-phenylethoxy)benzamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2-phenylethoxy)benzamide is O=C(Nc1ccccc1Br)c1ccccc1OCCc1ccccc1.
What is the InChIKey of N-(2-bromophenyl)-2-(2-phenylethoxy)benzamide?
The InChIKey is HDOBSKFJUMMJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO2/c22-18-11-5-6-12-19(18)23-21(24)17-10-4-7-13-20(17)25-15-14-16-8-2-1-3-9-16/h1-13H,14-15H2,(H,23,24).
What are the key properties of N-(2-bromophenyl)-2-(2-phenylethoxy)benzamide?
N-(2-bromophenyl)-2-(2-phenylethoxy)benzamide has a molecular weight of 396.28 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2-phenylethoxy)benzamide is sourced from PubChem (CID 19628130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).