2-(4-bromo-2-propan-2-ylphenoxy)benzamide

C16H16BrNO2 — CID 115402255

IUPAC2-(4-bromo-2-propan-2-ylphenoxy)benzamide
SMILESCC(C)c1cc(Br)ccc1Oc1ccccc1C(N)=O
InChIInChI=1S/C16H16BrNO2/c1-10(2)13-9-11(17)7-8-15(13)20-14-6-4-3-5-12(14)16(18)19/h3-10H,1-2H3,(H2,18,19)
InChIKeySTSNMJYQXFYMOY-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.46
Rot. Bonds4

About 2-(4-bromo-2-propan-2-ylphenoxy)benzamide

2-(4-bromo-2-propan-2-ylphenoxy)benzamide (PubChem CID 115402255) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-(4-bromo-2-propan-2-ylphenoxy)benzamide.

Molecular Properties

Compound Name2-(4-bromo-2-propan-2-ylphenoxy)benzamide
PubChem CID115402255
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2-(4-bromo-2-propan-2-ylphenoxy)benzamide
SMILESCC(C)c1cc(Br)ccc1Oc1ccccc1C(N)=O
InChIInChI=1S/C16H16BrNO2/c1-10(2)13-9-11(17)7-8-15(13)20-14-6-4-3-5-12(14)16(18)19/h3-10H,1-2H3,(H2,18,19)
InChIKeySTSNMJYQXFYMOY-UHFFFAOYSA-N
XLogP4.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 115401530
3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 82786342
2-(4-bromo-2-propan-2-ylphenoxy)-5-methylbenzenecarbothioamide
CID 107929628
5-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzoic acid
CID 115402590
5-bromo-2-(2-hydroxyphenoxy)benzamide
CID 114895131
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 82976372
2-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]benzamide
CID 78937730
4-bromo-2-(2-propan-2-ylphenoxy)benzoic acid
CID 43364865
(4-bromo-2-propan-2-ylphenyl) 2-bromobenzoate
CID 17188126
2-(5-bromo-2-formylphenoxy)benzamide
CID 43364679
1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 115402935
2-(4-bromo-2-propan-2-ylphenoxy)-4,5-dichloroaniline
CID 115401583

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)benzamide?
The IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)benzamide (CID 115402255) is 2-(4-bromo-2-propan-2-ylphenoxy)benzamide.
What is the SMILES notation for 2-(4-bromo-2-propan-2-ylphenoxy)benzamide?
The canonical SMILES for 2-(4-bromo-2-propan-2-ylphenoxy)benzamide is CC(C)c1cc(Br)ccc1Oc1ccccc1C(N)=O.
What is the InChIKey of 2-(4-bromo-2-propan-2-ylphenoxy)benzamide?
The InChIKey is STSNMJYQXFYMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-10(2)13-9-11(17)7-8-15(13)20-14-6-4-3-5-12(14)16(18)19/h3-10H,1-2H3,(H2,18,19).
What are the key properties of 2-(4-bromo-2-propan-2-ylphenoxy)benzamide?
2-(4-bromo-2-propan-2-ylphenoxy)benzamide has a molecular weight of 334.21 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-propan-2-ylphenoxy)benzamide is sourced from PubChem (CID 115402255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).