2-[(3-bromophenyl)methoxy]-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide

C24H23BrN2O3 — CID 31306240

IUPAC2-[(3-bromophenyl)methoxy]-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C24H23BrN2O3/c1-2-18-9-3-5-12-21(18)27-23(28)15-26-24(29)20-11-4-6-13-22(20)30-16-17-8-7-10-19(25)14-17/h3-14H,2,15-16H2,1H3,(H,26,29)(H,27,28)
InChIKeyZFIXKZCMOVIIHX-UHFFFAOYSA-N
MW467.36 g/mol
LogP4.96
Rot. Bonds8

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

2-[(3-bromophenyl)methoxy]-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide (PubChem CID 31306240) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
PubChem CID31306240
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC Name2-[(3-bromophenyl)methoxy]-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C24H23BrN2O3/c1-2-18-9-3-5-12-21(18)27-23(28)15-26-24(29)20-11-4-6-13-22(20)30-16-17-8-7-10-19(25)14-17/h3-14H,2,15-16H2,1H3,(H,26,29)(H,27,28)
InChIKeyZFIXKZCMOVIIHX-UHFFFAOYSA-N
XLogP4.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.36
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 27762194
2-[(3-bromophenyl)methoxy]-N-methoxybenzamide
CID 33104537
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 24544481
2-(difluoromethoxy)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 42029832
2-[(3-bromophenyl)methoxy]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 56827840
4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 26707249
2-[(3-bromophenyl)methoxy]-N-(4-fluorophenyl)benzamide
CID 16547793
2-[(3-bromophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 43000565
1-[(3-bromophenyl)methyl]-3-(2-ethylphenyl)urea
CID 25236910
2-ethoxy-N-[4-(2-ethylanilino)-4-oxobutyl]benzamide
CID 8565305
2-[2-[(3-bromophenyl)methoxy]phenyl]acetic acid
CID 80742211
2-(3-bromophenyl)-N-[2-(2-fluoroanilino)-2-oxoethyl]acetamide
CID 112997653

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide (CID 31306240) is 2-[(3-bromophenyl)methoxy]-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide is CCc1ccccc1NC(=O)CNC(=O)c1ccccc1OCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide?
The InChIKey is ZFIXKZCMOVIIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c1-2-18-9-3-5-12-21(18)27-23(28)15-26-24(29)20-11-4-6-13-22(20)30-16-17-8-7-10-19(25)14-17/h3-14H,2,15-16H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 2-[(3-bromophenyl)methoxy]-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide?
2-[(3-bromophenyl)methoxy]-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide has a molecular weight of 467.36 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 31306240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).