3,3-dibromo-N-(4-methoxyphenyl)-N,2-dimethylpropanamide

C12H15Br2NO2 — CID 102127116

IUPAC3,3-dibromo-N-(4-methoxyphenyl)-N,2-dimethylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(C)C(Br)Br)cc1
InChIInChI=1S/C12H15Br2NO2/c1-8(11(13)14)12(16)15(2)9-4-6-10(17-3)7-5-9/h4-8,11H,1-3H3
InChIKeyOQTOGJBSJKCQJS-UHFFFAOYSA-N
MW365.07 g/mol
LogP3.41
Rot. Bonds4

About 3,3-dibromo-N-(4-methoxyphenyl)-N,2-dimethylpropanamide

3,3-dibromo-N-(4-methoxyphenyl)-N,2-dimethylpropanamide (PubChem CID 102127116) has the molecular formula C12H15Br2NO2 and a molecular weight of 365.07 g/mol. Its IUPAC name is 3,3-dibromo-N-(4-methoxyphenyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3,3-dibromo-N-(4-methoxyphenyl)-N,2-dimethylpropanamide
PubChem CID102127116
Molecular FormulaC12H15Br2NO2
Molecular Weight365.07 g/mol
Exact Mass362.95
IUPAC Name3,3-dibromo-N-(4-methoxyphenyl)-N,2-dimethylpropanamide
SMILESCOc1ccc(N(C)C(=O)C(C)C(Br)Br)cc1
InChIInChI=1S/C12H15Br2NO2/c1-8(11(13)14)12(16)15(2)9-4-6-10(17-3)7-5-9/h4-8,11H,1-3H3
InChIKeyOQTOGJBSJKCQJS-UHFFFAOYSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.07
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxyphenyl)-methylcarbamoyl]butanoic acid
CID 115185896
(4-methoxyphenyl)-methylcarbamic acid
CID 22047987
2-bromo-N-(4-ethoxyphenyl)-N-methylpropanamide
CID 11460343
1-(4-methoxyphenyl)-1,3-dimethylurea
CID 116655338
1-(4-methoxyphenyl)-1-methyl-3-propan-2-ylthiourea
CID 116508181
(2S)-2-[[(4-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 62002877
2-cyano-N-(4-methoxyphenyl)-N-methyl-2-phenylacetamide
CID 62879005
2-chloro-N-(4-methoxyphenyl)-N-methylacetamide
CID 4714233
2-(7-methoxynaphthalen-2-yl)oxy-N-methyl-N-phenylpropanamide
CID 42899705
2-(4-methoxy-N-methylanilino)prop-2-enamide
CID 175949684
2-(4-methoxyphenyl)-N,N-dimethylpropanamide
CID 20710885
N-(4-methoxyphenyl)-N-methylimidazole-1-carboxamide
CID 81268024

Frequently Asked Questions

What is the IUPAC name of 3,3-dibromo-N-(4-methoxyphenyl)-N,2-dimethylpropanamide?
The IUPAC name of 3,3-dibromo-N-(4-methoxyphenyl)-N,2-dimethylpropanamide (CID 102127116) is 3,3-dibromo-N-(4-methoxyphenyl)-N,2-dimethylpropanamide.
What is the SMILES notation for 3,3-dibromo-N-(4-methoxyphenyl)-N,2-dimethylpropanamide?
The canonical SMILES for 3,3-dibromo-N-(4-methoxyphenyl)-N,2-dimethylpropanamide is COc1ccc(N(C)C(=O)C(C)C(Br)Br)cc1.
What is the InChIKey of 3,3-dibromo-N-(4-methoxyphenyl)-N,2-dimethylpropanamide?
The InChIKey is OQTOGJBSJKCQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO2/c1-8(11(13)14)12(16)15(2)9-4-6-10(17-3)7-5-9/h4-8,11H,1-3H3.
What are the key properties of 3,3-dibromo-N-(4-methoxyphenyl)-N,2-dimethylpropanamide?
3,3-dibromo-N-(4-methoxyphenyl)-N,2-dimethylpropanamide has a molecular weight of 365.07 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dibromo-N-(4-methoxyphenyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 102127116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).