3-bromo-N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide

C23H22BrNO2 — CID 17072637

IUPAC3-bromo-N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide
SMILESCCN(C(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1ccccc1
InChIInChI=1S/C23H22BrNO2/c1-2-25(20-11-7-4-8-12-20)23(26)19-13-14-22(21(24)17-19)27-16-15-18-9-5-3-6-10-18/h3-14,17H,2,15-16H2,1H3
InChIKeyTZOFASDAVFUUDA-UHFFFAOYSA-N
MW424.34 g/mol
LogP5.74
Rot. Bonds7

About 3-bromo-N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide

3-bromo-N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide (PubChem CID 17072637) has the molecular formula C23H22BrNO2 and a molecular weight of 424.34 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide
PubChem CID17072637
Molecular FormulaC23H22BrNO2
Molecular Weight424.34 g/mol
Exact Mass423.08
IUPAC Name3-bromo-N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide
SMILESCCN(C(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1ccccc1
InChIInChI=1S/C23H22BrNO2/c1-2-25(20-11-7-4-8-12-20)23(26)19-13-14-22(21(24)17-19)27-16-15-18-9-5-3-6-10-18/h3-14,17H,2,15-16H2,1H3
InChIKeyTZOFASDAVFUUDA-UHFFFAOYSA-N
XLogP5.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.34
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-ethyl-N-phenyl-4-(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

3-bromo-N-[2-(N-[3-bromo-4-(2-phenylethoxy)benzoyl]anilino)ethyl]-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17073276
3-bromo-N-[[4-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 17229967
5-bromo-N-ethyl-N-phenyl-2-(2-phenylethoxy)benzamide
CID 17046055
N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide
CID 4956291
N-ethyl-N-phenyl-3-(2-phenylethoxy)benzamide
CID 17134260
3-bromo-N-ethyl-N-phenyl-4-propan-2-yloxybenzamide
CID 17355153
4-butoxy-N-ethyl-3-methoxy-N-phenylbenzamide
CID 134028659
3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide
CID 60661053
3-bromo-N-[6-[[3-bromo-4-(2-phenylethoxy)benzoyl]amino]hexyl]-4-(2-phenylethoxy)benzamide
CID 17073272
3-bromo-N-[2-(N-[3-bromo-4-(2-methylpropoxy)benzoyl]anilino)ethyl]-4-(2-methylpropoxy)-N-phenylbenzamide
CID 17352584
3-bromo-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17072648
3-bromo-N-[4-(2-phenylethoxy)phenyl]-4-propoxybenzamide
CID 17067040

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide?
The IUPAC name of 3-bromo-N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide (CID 17072637) is 3-bromo-N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide.
What is the SMILES notation for 3-bromo-N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide?
The canonical SMILES for 3-bromo-N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide is CCN(C(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1ccccc1.
What is the InChIKey of 3-bromo-N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide?
The InChIKey is TZOFASDAVFUUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrNO2/c1-2-25(20-11-7-4-8-12-20)23(26)19-13-14-22(21(24)17-19)27-16-15-18-9-5-3-6-10-18/h3-14,17H,2,15-16H2,1H3.
What are the key properties of 3-bromo-N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide?
3-bromo-N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide has a molecular weight of 424.34 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide is sourced from PubChem (CID 17072637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).