N-(3-bromophenyl)-N,2,2-trimethylpropanamide

C12H16BrNO — CID 172560742

IUPACN-(3-bromophenyl)-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO/c1-12(2,3)11(15)14(4)10-7-5-6-9(13)8-10/h5-8H,1-4H3
InChIKeyOMKFYEPSOYOTLW-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.46
Rot. Bonds1

About N-(3-bromophenyl)-N,2,2-trimethylpropanamide

N-(3-bromophenyl)-N,2,2-trimethylpropanamide (PubChem CID 172560742) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is N-(3-bromophenyl)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N,2,2-trimethylpropanamide
PubChem CID172560742
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC NameN-(3-bromophenyl)-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1cccc(Br)c1
InChIInChI=1S/C12H16BrNO/c1-12(2,3)11(15)14(4)10-7-5-6-9(13)8-10/h5-8H,1-4H3
InChIKeyOMKFYEPSOYOTLW-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 130659155
4-(3-bromo-N-methylanilino)-2,2-dimethyl-4-oxobutanoic acid
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N-(3-bromophenyl)-2-hydroxy-N-methylpropanamide
CID 115140581
3-[(3-bromophenyl)-methylcarbamoyl]benzoic acid
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3-(3-bromo-N-methylanilino)-3-methylbutanoic acid
CID 117042384
4-amino-N-(3-bromophenyl)-N-methylbenzamide
CID 82094901
N-(3-bromophenyl)-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
CID 115182178
N-(3-bromophenyl)-N-hydroxyacetamide
CID 3015973
4-(3-bromo-N-methylanilino)-2-methyl-4-oxobutanoic acid
CID 115165040
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CID 146341710

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N,2,2-trimethylpropanamide?
The IUPAC name of N-(3-bromophenyl)-N,2,2-trimethylpropanamide (CID 172560742) is N-(3-bromophenyl)-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-(3-bromophenyl)-N,2,2-trimethylpropanamide?
The canonical SMILES for N-(3-bromophenyl)-N,2,2-trimethylpropanamide is CN(C(=O)C(C)(C)C)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N,2,2-trimethylpropanamide?
The InChIKey is OMKFYEPSOYOTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-12(2,3)11(15)14(4)10-7-5-6-9(13)8-10/h5-8H,1-4H3.
What are the key properties of N-(3-bromophenyl)-N,2,2-trimethylpropanamide?
N-(3-bromophenyl)-N,2,2-trimethylpropanamide has a molecular weight of 270.17 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 172560742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).