N-benzhydryl-2-(4-bromo-2-tert-butylphenoxy)acetamide

C25H26BrNO2 — CID 19171974

IUPACN-benzhydryl-2-(4-bromo-2-tert-butylphenoxy)acetamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26BrNO2/c1-25(2,3)21-16-20(26)14-15-22(21)29-17-23(28)27-24(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16,24H,17H2,1-3H3,(H,27,28)
InChIKeyFOGUYOZAZOQJHH-UHFFFAOYSA-N
MW452.39 g/mol
LogP6.03
Rot. Bonds6

About N-benzhydryl-2-(4-bromo-2-tert-butylphenoxy)acetamide

N-benzhydryl-2-(4-bromo-2-tert-butylphenoxy)acetamide (PubChem CID 19171974) has the molecular formula C25H26BrNO2 and a molecular weight of 452.39 g/mol. Its IUPAC name is N-benzhydryl-2-(4-bromo-2-tert-butylphenoxy)acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(4-bromo-2-tert-butylphenoxy)acetamide
PubChem CID19171974
Molecular FormulaC25H26BrNO2
Molecular Weight452.39 g/mol
Exact Mass451.11
IUPAC NameN-benzhydryl-2-(4-bromo-2-tert-butylphenoxy)acetamide
SMILESCC(C)(C)c1cc(Br)ccc1OCC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26BrNO2/c1-25(2,3)21-16-20(26)14-15-22(21)29-17-23(28)27-24(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16,24H,17H2,1-3H3,(H,27,28)
InChIKeyFOGUYOZAZOQJHH-UHFFFAOYSA-N
XLogP6.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.39
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzhydryl-2-(2-tert-butyl-4-methylphenoxy)acetamide
CID 19169265
2-(4-bromo-2-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43917017
2-(4-bromo-2-tert-butylphenoxy)-N-[(2-chlorophenyl)methyl]acetamide
CID 17194203
2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 19176877
2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
CID 17051867
2-(4-bromo-2-tert-butylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1184481
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide
CID 17051880
2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 19227918
N-[bis(4-methoxyphenyl)methyl]-2-(4-bromo-2-fluorophenoxy)acetamide
CID 27716942
2-(4-bromo-2-tert-butylphenoxy)-N-[2-(N-[2-(4-bromo-2-tert-butylphenoxy)acetyl]anilino)ethyl]-N-phenylacetamide
CID 17052221
2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7721430
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]hexanehydrazide
CID 17051882

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(4-bromo-2-tert-butylphenoxy)acetamide?
The IUPAC name of N-benzhydryl-2-(4-bromo-2-tert-butylphenoxy)acetamide (CID 19171974) is N-benzhydryl-2-(4-bromo-2-tert-butylphenoxy)acetamide.
What is the SMILES notation for N-benzhydryl-2-(4-bromo-2-tert-butylphenoxy)acetamide?
The canonical SMILES for N-benzhydryl-2-(4-bromo-2-tert-butylphenoxy)acetamide is CC(C)(C)c1cc(Br)ccc1OCC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-(4-bromo-2-tert-butylphenoxy)acetamide?
The InChIKey is FOGUYOZAZOQJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrNO2/c1-25(2,3)21-16-20(26)14-15-22(21)29-17-23(28)27-24(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-16,24H,17H2,1-3H3,(H,27,28).
What are the key properties of N-benzhydryl-2-(4-bromo-2-tert-butylphenoxy)acetamide?
N-benzhydryl-2-(4-bromo-2-tert-butylphenoxy)acetamide has a molecular weight of 452.39 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(4-bromo-2-tert-butylphenoxy)acetamide is sourced from PubChem (CID 19171974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).