N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide

C28H23Br2N3O3 — CID 4942018

IUPACN-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C28H23Br2N3O3/c1-18-15-19(29)16-24(30)27(18)36-17-26(34)33-25-10-6-5-9-23(25)28(35)32-22-13-11-21(12-14-22)31-20-7-3-2-4-8-20/h2-16,31H,17H2,1H3,(H,32,35)(H,33,34)
InChIKeyIEGVXZYBHUPTDU-UHFFFAOYSA-N
MW609.32 g/mol
LogP7.53
Rot. Bonds8

About N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide

N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide (PubChem CID 4942018) has the molecular formula C28H23Br2N3O3 and a molecular weight of 609.32 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
PubChem CID4942018
Molecular FormulaC28H23Br2N3O3
Molecular Weight609.32 g/mol
Exact Mass607.01
IUPAC NameN-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C28H23Br2N3O3/c1-18-15-19(29)16-24(30)27(18)36-17-26(34)33-25-10-6-5-9-23(25)28(35)32-22-13-11-21(12-14-22)31-20-7-3-2-4-8-20/h2-16,31H,17H2,1H3,(H,32,35)(H,33,34)
InChIKeyIEGVXZYBHUPTDU-UHFFFAOYSA-N
XLogP7.53
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.32
LogP ≤ 57.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[[2-(2,4,6-tribromophenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 17296347
N-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 4942012
N-[4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamoyl]phenyl]-2-methylbenzamide
CID 4504600
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
N-butan-2-yl-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 17151209
2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17186649
2-(2,4-dibromo-6-methylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093492
N-(4-anilinophenyl)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
CID 4941879
4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzoic acid
CID 28676661
2-(2,4-dibromo-6-methylphenoxy)-N-(2-propan-2-yloxyphenyl)acetamide
CID 17150905
4-[[2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoyl]amino]benzoic acid
CID 1298155
N-(2-acetylphenyl)-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 7233534

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide?
The IUPAC name of N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide (CID 4942018) is N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide is Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide?
The InChIKey is IEGVXZYBHUPTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23Br2N3O3/c1-18-15-19(29)16-24(30)27(18)36-17-26(34)33-25-10-6-5-9-23(25)28(35)32-22-13-11-21(12-14-22)31-20-7-3-2-4-8-20/h2-16,31H,17H2,1H3,(H,32,35)(H,33,34).
What are the key properties of N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide?
N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide has a molecular weight of 609.32 g/mol, XLogP of 7.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 4942018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).