N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide

C27H21BrN2O3 — CID 17235437

IUPACN-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Br)Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C27H21BrN2O3/c28-24-17-21(19-7-3-1-4-8-19)11-16-25(24)33-18-26(31)29-22-12-14-23(15-13-22)30-27(32)20-9-5-2-6-10-20/h1-17H,18H2,(H,29,31)(H,30,32)
InChIKeyVVDDZHULDBUHGD-UHFFFAOYSA-N
MW501.38 g/mol
LogP6.39
Rot. Bonds7

About N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide

N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide (PubChem CID 17235437) has the molecular formula C27H21BrN2O3 and a molecular weight of 501.38 g/mol. Its IUPAC name is N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide
PubChem CID17235437
Molecular FormulaC27H21BrN2O3
Molecular Weight501.38 g/mol
Exact Mass500.07
IUPAC NameN-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1Br)Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C27H21BrN2O3/c28-24-17-21(19-7-3-1-4-8-19)11-16-25(24)33-18-26(31)29-22-12-14-23(15-13-22)30-27(32)20-9-5-2-6-10-20/h1-17H,18H2,(H,29,31)(H,30,32)
InChIKeyVVDDZHULDBUHGD-UHFFFAOYSA-N
XLogP6.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.38
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-phenylphenoxy)-N-(4-chlorophenyl)acetamide
CID 4960591
2-(2-bromo-4-phenylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17340502
3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 43877944
N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-3-methylbutanamide
CID 17194079
3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17230760
N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231401
N-[4-[[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4960820
2-(2-bromo-4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 17130229
2-(2-bromo-4-phenylphenoxy)-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 4960656
2-(2-bromo-4-phenylphenoxy)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
CID 17194781
2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 4960689
2-(2-bromo-4-phenylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169893

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide (CID 17235437) is N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide is O=C(COc1ccc(-c2ccccc2)cc1Br)Nc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide?
The InChIKey is VVDDZHULDBUHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrN2O3/c28-24-17-21(19-7-3-1-4-8-19)11-16-25(24)33-18-26(31)29-22-12-14-23(15-13-22)30-27(32)20-9-5-2-6-10-20/h1-17H,18H2,(H,29,31)(H,30,32).
What are the key properties of N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide?
N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide has a molecular weight of 501.38 g/mol, XLogP of 6.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 17235437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).