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

C16H17BrN2O2 — CID 115401530

IUPAC4-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzamide
SMILESCC(C)c1cc(Br)ccc1Oc1cc(N)ccc1C(N)=O
InChIInChI=1S/C16H17BrN2O2/c1-9(2)13-7-10(17)3-6-14(13)21-15-8-11(18)4-5-12(15)16(19)20/h3-9H,18H2,1-2H3,(H2,19,20)
InChIKeyKNQMMYFJOJGQHT-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.05
Rot. Bonds4

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

4-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzamide (PubChem CID 115401530) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzamide.

Molecular Properties

Compound Name4-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzamide
PubChem CID115401530
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name4-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzamide
SMILESCC(C)c1cc(Br)ccc1Oc1cc(N)ccc1C(N)=O
InChIInChI=1S/C16H17BrN2O2/c1-9(2)13-7-10(17)3-6-14(13)21-15-8-11(18)4-5-12(15)16(19)20/h3-9H,18H2,1-2H3,(H2,19,20)
InChIKeyKNQMMYFJOJGQHT-UHFFFAOYSA-N
XLogP4.05
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 115402255
5-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzoic acid
CID 115402590
3-bromo-4-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 82786342
2-(4-bromo-2-propan-2-ylphenoxy)-5-methylbenzenecarbothioamide
CID 107929628
4-amino-2-(2,5-dibromo-4-methoxyphenoxy)benzamide
CID 79407435
1-[2-amino-5-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanone
CID 104613352
4-amino-2-propan-2-yloxybenzamide
CID 53495725
4-(4-bromo-2-propan-2-ylphenoxy)-6-methylpyridine-3-carboxylic acid
CID 115401714
2-(4-bromo-2-propan-2-ylphenoxy)-4,5-dichloroaniline
CID 115401583
2-(1-aminoethyl)-4-bromobenzamide
CID 70087597
4-bromo-2-(2-propan-2-ylphenoxy)benzoic acid
CID 43364865
4-amino-2-(2-hydroxypropoxy)benzamide
CID 106955593

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzamide?
The IUPAC name of 4-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzamide (CID 115401530) is 4-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzamide.
What is the SMILES notation for 4-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzamide?
The canonical SMILES for 4-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzamide is CC(C)c1cc(Br)ccc1Oc1cc(N)ccc1C(N)=O.
What is the InChIKey of 4-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzamide?
The InChIKey is KNQMMYFJOJGQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-9(2)13-7-10(17)3-6-14(13)21-15-8-11(18)4-5-12(15)16(19)20/h3-9H,18H2,1-2H3,(H2,19,20).
What are the key properties of 4-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzamide?
4-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzamide has a molecular weight of 349.23 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-bromo-2-propan-2-ylphenoxy)benzamide is sourced from PubChem (CID 115401530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).