N-(4-anilinophenyl)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide

C27H21BrClN3O3 — CID 4941879

IUPACN-(4-anilinophenyl)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
SMILESO=C(COc1ccc(Cl)cc1Br)Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C27H21BrClN3O3/c28-23-16-18(29)10-15-25(23)35-17-26(33)32-24-9-5-4-8-22(24)27(34)31-21-13-11-20(12-14-21)30-19-6-2-1-3-7-19/h1-16,30H,17H2,(H,31,34)(H,32,33)
InChIKeyIZBIAATWOGPVRE-UHFFFAOYSA-N
MW550.84 g/mol
LogP7.12
Rot. Bonds8

About N-(4-anilinophenyl)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide

N-(4-anilinophenyl)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide (PubChem CID 4941879) has the molecular formula C27H21BrClN3O3 and a molecular weight of 550.84 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
PubChem CID4941879
Molecular FormulaC27H21BrClN3O3
Molecular Weight550.84 g/mol
Exact Mass549.05
IUPAC NameN-(4-anilinophenyl)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide
SMILESO=C(COc1ccc(Cl)cc1Br)Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C27H21BrClN3O3/c28-23-16-18(29)10-15-25(23)35-17-26(33)32-24-9-5-4-8-22(24)27(34)31-21-13-11-20(12-14-21)30-19-6-2-1-3-7-19/h1-16,30H,17H2,(H,31,34)(H,32,33)
InChIKeyIZBIAATWOGPVRE-UHFFFAOYSA-N
XLogP7.12
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.84
LogP ≤ 57.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-anilinophenyl)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]benzamide
CID 4942012
N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide
CID 4941967
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide
CID 4932228
methyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 1213645
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17350098
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17150278
2-(2-bromo-4-chlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 2627508
2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 8852932
N-(4-anilinophenyl)-2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzamide
CID 4942018
2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]acetamide
CID 1213643
N-[3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231269
2-(2-bromo-4-chlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1367163

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide?
The IUPAC name of N-(4-anilinophenyl)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide (CID 4941879) is N-(4-anilinophenyl)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(4-anilinophenyl)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide is O=C(COc1ccc(Cl)cc1Br)Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide?
The InChIKey is IZBIAATWOGPVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrClN3O3/c28-23-16-18(29)10-15-25(23)35-17-26(33)32-24-9-5-4-8-22(24)27(34)31-21-13-11-20(12-14-21)30-19-6-2-1-3-7-19/h1-16,30H,17H2,(H,31,34)(H,32,33).
What are the key properties of N-(4-anilinophenyl)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide?
N-(4-anilinophenyl)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzamide has a molecular weight of 550.84 g/mol, XLogP of 7.12, 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-bromo-4-chlorophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 4941879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).