2-bromo-N-(4-bromo-3-propan-2-yloxyphenyl)acetamide

C11H13Br2NO2 — CID 19882836

IUPAC2-bromo-N-(4-bromo-3-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1cc(NC(=O)CBr)ccc1Br
InChIInChI=1S/C11H13Br2NO2/c1-7(2)16-10-5-8(3-4-9(10)13)14-11(15)6-12/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyNKYBIJRZETZQDK-UHFFFAOYSA-N
MW351.04 g/mol
LogP3.57
Rot. Bonds4

About 2-bromo-N-(4-bromo-3-propan-2-yloxyphenyl)acetamide

2-bromo-N-(4-bromo-3-propan-2-yloxyphenyl)acetamide (PubChem CID 19882836) has the molecular formula C11H13Br2NO2 and a molecular weight of 351.04 g/mol. Its IUPAC name is 2-bromo-N-(4-bromo-3-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromo-3-propan-2-yloxyphenyl)acetamide
PubChem CID19882836
Molecular FormulaC11H13Br2NO2
Molecular Weight351.04 g/mol
Exact Mass348.93
IUPAC Name2-bromo-N-(4-bromo-3-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1cc(NC(=O)CBr)ccc1Br
InChIInChI=1S/C11H13Br2NO2/c1-7(2)16-10-5-8(3-4-9(10)13)14-11(15)6-12/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyNKYBIJRZETZQDK-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.04
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[6-[(2-bromoacetyl)amino]naphthalen-2-yl]acetamide
CID 146415877
5-bromo-N-(3-chloro-4-propan-2-yloxyphenyl)pentanamide
CID 107908992
6-amino-N-(4-bromo-3-methoxyphenyl)-4-methylhexanamide
CID 82867797
2-amino-N-(3-methyl-4-propan-2-yloxyphenyl)acetamide
CID 82494452
3-(3-chloro-4-propan-2-yloxyanilino)-3-oxopropanoic acid
CID 62231321
N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide
CID 79421127
2-[2-(4-bromo-3-methoxyanilino)-2-oxoethoxy]acetic acid
CID 82857878
6-amino-N-(4-bromo-3-methoxyphenyl)-4,4-dimethylhexanamide
CID 82867638
N-(3-ethyl-4-propan-2-yloxyphenyl)acetamide
CID 66916731
4-bromo-N,N-dimethyl-3-propan-2-yloxybenzamide
CID 131254878
(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride
CID 119290157
2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromo-3-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-bromo-N-(4-bromo-3-propan-2-yloxyphenyl)acetamide (CID 19882836) is 2-bromo-N-(4-bromo-3-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-bromo-N-(4-bromo-3-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-bromo-N-(4-bromo-3-propan-2-yloxyphenyl)acetamide is CC(C)Oc1cc(NC(=O)CBr)ccc1Br.
What is the InChIKey of 2-bromo-N-(4-bromo-3-propan-2-yloxyphenyl)acetamide?
The InChIKey is NKYBIJRZETZQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO2/c1-7(2)16-10-5-8(3-4-9(10)13)14-11(15)6-12/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-bromo-N-(4-bromo-3-propan-2-yloxyphenyl)acetamide?
2-bromo-N-(4-bromo-3-propan-2-yloxyphenyl)acetamide has a molecular weight of 351.04 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromo-3-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 19882836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).