2-bromo-N-(4-bromophenyl)butanamide

C10H11Br2NO — CID 25219718

IUPAC2-bromo-N-(4-bromophenyl)butanamide
SMILESCCC(Br)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C10H11Br2NO/c1-2-9(12)10(14)13-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3,(H,13,14)
InChIKeyYHVVEKDVZHTVBG-UHFFFAOYSA-N
MW321.01 g/mol
LogP3.56
Rot. Bonds3

About 2-bromo-N-(4-bromophenyl)butanamide

2-bromo-N-(4-bromophenyl)butanamide (PubChem CID 25219718) has the molecular formula C10H11Br2NO and a molecular weight of 321.01 g/mol. Its IUPAC name is 2-bromo-N-(4-bromophenyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromophenyl)butanamide
PubChem CID25219718
Molecular FormulaC10H11Br2NO
Molecular Weight321.01 g/mol
Exact Mass318.92
IUPAC Name2-bromo-N-(4-bromophenyl)butanamide
SMILESCCC(Br)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C10H11Br2NO/c1-2-9(12)10(14)13-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3,(H,13,14)
InChIKeyYHVVEKDVZHTVBG-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.01
LogP ≤ 53.56
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

2-bromo-N-(6-bromonaphthalen-2-yl)butanamide
CID 81260484
(2S)-2-bromo-N-(4-ethylphenyl)butanamide
CID 51659893
N-[4-(2-bromobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 62855176
2-bromo-N-(4-butylphenyl)butanamide
CID 63463837
(2R)-2-bromo-N-(4-sulfamoylphenyl)butanamide
CID 94883529
2-bromo-N-(4-phenoxyphenyl)butanamide
CID 63463042
(2S)-2-bromo-N-(4-butoxyphenyl)butanamide
CID 95970141
2-bromo-N-(2,5-dibromophenyl)butanamide
CID 62856561
N-(4-bromophenyl)-2-cyanobutanamide
CID 55207882
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
2-bromo-N-(3-hydroxy-4-methylphenyl)butanamide
CID 21343940
2-bromo-N-(4-piperidin-1-ylphenyl)butanamide
CID 62856119

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromophenyl)butanamide?
The IUPAC name of 2-bromo-N-(4-bromophenyl)butanamide (CID 25219718) is 2-bromo-N-(4-bromophenyl)butanamide.
What is the SMILES notation for 2-bromo-N-(4-bromophenyl)butanamide?
The canonical SMILES for 2-bromo-N-(4-bromophenyl)butanamide is CCC(Br)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 2-bromo-N-(4-bromophenyl)butanamide?
The InChIKey is YHVVEKDVZHTVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO/c1-2-9(12)10(14)13-8-5-3-7(11)4-6-8/h3-6,9H,2H2,1H3,(H,13,14).
What are the key properties of 2-bromo-N-(4-bromophenyl)butanamide?
2-bromo-N-(4-bromophenyl)butanamide has a molecular weight of 321.01 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromophenyl)butanamide is sourced from PubChem (CID 25219718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).