N-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide

C12H13BrN2O2 — CID 103020238

IUPACN-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1ccc(Br)cc1C#N
InChIInChI=1S/C12H13BrN2O2/c1-12(2,17-3)11(16)15-10-5-4-9(13)6-8(10)7-14/h4-6H,1-3H3,(H,15,16)
InChIKeyXNGVPKYNWJJSDO-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.68
Rot. Bonds3

About N-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide

N-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide (PubChem CID 103020238) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is N-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide
PubChem CID103020238
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC NameN-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1ccc(Br)cc1C#N
InChIInChI=1S/C12H13BrN2O2/c1-12(2,17-3)11(16)15-10-5-4-9(13)6-8(10)7-14/h4-6H,1-3H3,(H,15,16)
InChIKeyXNGVPKYNWJJSDO-UHFFFAOYSA-N
XLogP2.68
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-bromo-2-cyanophenyl)-2-methylpropanamide
CID 82707939
N-(2-cyano-4-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 103028928
2-amino-N-(4-bromo-2-cyanophenyl)-2-phenylpropanamide
CID 82695441
N-(4-bromo-2-cyanophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602644
N-[4-[(2S)-butan-2-yl]oxy-2-cyanophenyl]-2-methoxy-2-methylpropanamide
CID 100752326
N-[4-[(2R)-butan-2-yl]oxy-2-cyanophenyl]-2-methoxy-2-methylpropanamide
CID 100752319
(4-bromo-2-cyanophenyl)urea
CID 82708837
3-(4-bromo-2-cyanophenyl)-1,1-dimethylurea
CID 82708797
ethyl N-(4-bromo-2-cyanophenyl)carbamate
CID 18367857
N-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide
CID 82707700
3-amino-N-(4-bromo-2-cyanophenyl)-2-methoxypropanamide
CID 106113476
1-(4-bromo-2-cyanophenyl)-3-(2-methoxyphenyl)urea
CID 82695331

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide (CID 103020238) is N-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1ccc(Br)cc1C#N.
What is the InChIKey of N-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide?
The InChIKey is XNGVPKYNWJJSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-12(2,17-3)11(16)15-10-5-4-9(13)6-8(10)7-14/h4-6H,1-3H3,(H,15,16).
What are the key properties of N-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide?
N-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide has a molecular weight of 297.15 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103020238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).