2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide

C24H22Br2N2O3 — CID 17186649

IUPAC2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccccc1NC(=O)COc1c(C)cc(Br)cc1Br)c1ccccc1
InChIInChI=1S/C24H22Br2N2O3/c1-3-28(18-9-5-4-6-10-18)24(30)19-11-7-8-12-21(19)27-22(29)15-31-23-16(2)13-17(25)14-20(23)26/h4-14H,3,15H2,1-2H3,(H,27,29)
InChIKeyZUWSRGLJUIVEJV-UHFFFAOYSA-N
MW546.26 g/mol
LogP6.20
Rot. Bonds7

About 2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide

2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide (PubChem CID 17186649) has the molecular formula C24H22Br2N2O3 and a molecular weight of 546.26 g/mol. Its IUPAC name is 2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
PubChem CID17186649
Molecular FormulaC24H22Br2N2O3
Molecular Weight546.26 g/mol
Exact Mass544.00
IUPAC Name2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1ccccc1NC(=O)COc1c(C)cc(Br)cc1Br)c1ccccc1
InChIInChI=1S/C24H22Br2N2O3/c1-3-28(18-9-5-4-6-10-18)24(30)19-11-7-8-12-21(19)27-22(29)15-31-23-16(2)13-17(25)14-20(23)26/h4-14H,3,15H2,1-2H3,(H,27,29)
InChIKeyZUWSRGLJUIVEJV-UHFFFAOYSA-N
XLogP6.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.26
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dibromo-6-methylphenoxy)-N-[ethyl(phenyl)carbamothioyl]acetamide
CID 3326021
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 4942018
N-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 17151209
2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093492
2-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17189648
ethyl 3-[2-[ethyl(phenyl)carbamoyl]anilino]-3-oxopropanoate
CID 17186762
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17186619
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504132
2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
CID 17150905
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 86835516

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The IUPAC name of 2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide (CID 17186649) is 2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1ccccc1NC(=O)COc1c(C)cc(Br)cc1Br)c1ccccc1.
What is the InChIKey of 2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide?
The InChIKey is ZUWSRGLJUIVEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Br2N2O3/c1-3-28(18-9-5-4-6-10-18)24(30)19-11-7-8-12-21(19)27-22(29)15-31-23-16(2)13-17(25)14-20(23)26/h4-14H,3,15H2,1-2H3,(H,27,29).
What are the key properties of 2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide?
2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide has a molecular weight of 546.26 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 17186649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).