N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(3-bromophenyl)acetamide

C13H16Br3NO — CID 114010943

IUPACN-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(3-bromophenyl)acetamide
SMILESCCC(CBr)(CBr)NC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C13H16Br3NO/c1-2-13(8-14,9-15)17-12(18)7-10-4-3-5-11(16)6-10/h3-6H,2,7-9H2,1H3,(H,17,18)
InChIKeyVPLPZXVSVMSYJH-UHFFFAOYSA-N
MW441.99 g/mol
LogP4.05
Rot. Bonds6

About N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(3-bromophenyl)acetamide

N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(3-bromophenyl)acetamide (PubChem CID 114010943) has the molecular formula C13H16Br3NO and a molecular weight of 441.99 g/mol. Its IUPAC name is N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(3-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(3-bromophenyl)acetamide
PubChem CID114010943
Molecular FormulaC13H16Br3NO
Molecular Weight441.99 g/mol
Exact Mass438.88
IUPAC NameN-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(3-bromophenyl)acetamide
SMILESCCC(CBr)(CBr)NC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C13H16Br3NO/c1-2-13(8-14,9-15)17-12(18)7-10-4-3-5-11(16)6-10/h3-6H,2,7-9H2,1H3,(H,17,18)
InChIKeyVPLPZXVSVMSYJH-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.99
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(bromomethyl)pentan-3-yl]-2-(3-bromophenyl)acetamide
CID 113275793
2-(3-bromophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 114008475
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-(3-methylphenyl)propanamide
CID 107867835
2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100702626
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
2-(3-bromophenyl)-N-[2-(chloromethyl)-2-ethylbutyl]acetamide
CID 114164473
2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide
CID 100697605
1-(3-bromophenyl)-3-ethyl-3-methoxypentan-2-one
CID 116747441
N-(2-amino-2-methylpropyl)-2-(3-bromophenyl)acetamide
CID 81483325
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
2-(3-bromophenyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 100698808
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556

Frequently Asked Questions

What is the IUPAC name of N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(3-bromophenyl)acetamide?
The IUPAC name of N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(3-bromophenyl)acetamide (CID 114010943) is N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(3-bromophenyl)acetamide.
What is the SMILES notation for N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(3-bromophenyl)acetamide?
The canonical SMILES for N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(3-bromophenyl)acetamide is CCC(CBr)(CBr)NC(=O)Cc1cccc(Br)c1.
What is the InChIKey of N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(3-bromophenyl)acetamide?
The InChIKey is VPLPZXVSVMSYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br3NO/c1-2-13(8-14,9-15)17-12(18)7-10-4-3-5-11(16)6-10/h3-6H,2,7-9H2,1H3,(H,17,18).
What are the key properties of N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(3-bromophenyl)acetamide?
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(3-bromophenyl)acetamide has a molecular weight of 441.99 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(3-bromophenyl)acetamide is sourced from PubChem (CID 114010943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).