N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide

C21H19BrN2O2 — CID 1013861

IUPACN-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H19BrN2O2/c1-15-13-16(22)7-12-20(15)26-14-21(25)24-19-10-8-18(9-11-19)23-17-5-3-2-4-6-17/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyOSDIIVXFUAQVLS-UHFFFAOYSA-N
MW411.30 g/mol
LogP5.52
Rot. Bonds6

About N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide

N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide (PubChem CID 1013861) has the molecular formula C21H19BrN2O2 and a molecular weight of 411.30 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
PubChem CID1013861
Molecular FormulaC21H19BrN2O2
Molecular Weight411.30 g/mol
Exact Mass410.06
IUPAC NameN-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H19BrN2O2/c1-15-13-16(22)7-12-20(15)26-14-21(25)24-19-10-8-18(9-11-19)23-17-5-3-2-4-6-17/h2-13,23H,14H2,1H3,(H,24,25)
InChIKeyOSDIIVXFUAQVLS-UHFFFAOYSA-N
XLogP5.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.30
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17233521
2-(4-bromo-2-methylphenoxy)-N-[4-[[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]methyl]phenyl]acetamide
CID 5180817
2-(4-bromo-2-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 695854
2-(4-bromo-2-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 3483118
N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013855
2-(4-bromo-2-methylphenoxy)-N-(3-phenylmethoxyphenyl)acetamide
CID 17086029
2-(4-bromo-2-carbamothioylphenoxy)-N-phenylacetamide
CID 83135884
N-(2-acetamidophenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1328492
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
N-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide
CID 28638819
2-(4-bromo-2-methylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096701
2-(4-bromo-2-methylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 17169811

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide?
The IUPAC name of N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide (CID 1013861) is N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide?
The canonical SMILES for N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide is Cc1cc(Br)ccc1OCC(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide?
The InChIKey is OSDIIVXFUAQVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O2/c1-15-13-16(22)7-12-20(15)26-14-21(25)24-19-10-8-18(9-11-19)23-17-5-3-2-4-6-17/h2-13,23H,14H2,1H3,(H,24,25).
What are the key properties of N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide?
N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide has a molecular weight of 411.30 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-(4-bromo-2-methylphenoxy)acetamide is sourced from PubChem (CID 1013861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).