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

C16H16BrNO2 — CID 63463042

IUPAC2-bromo-N-(4-phenoxyphenyl)butanamide
SMILESCCC(Br)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H16BrNO2/c1-2-15(17)16(19)18-12-8-10-14(11-9-12)20-13-6-4-3-5-7-13/h3-11,15H,2H2,1H3,(H,18,19)
InChIKeyTXGUYHXGKKKKGE-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.59
Rot. Bonds5

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

2-bromo-N-(4-phenoxyphenyl)butanamide (PubChem CID 63463042) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-bromo-N-(4-phenoxyphenyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(4-phenoxyphenyl)butanamide
PubChem CID63463042
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2-bromo-N-(4-phenoxyphenyl)butanamide
SMILESCCC(Br)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H16BrNO2/c1-2-15(17)16(19)18-12-8-10-14(11-9-12)20-13-6-4-3-5-7-13/h3-11,15H,2H2,1H3,(H,18,19)
InChIKeyTXGUYHXGKKKKGE-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-bromo-N-(4-butoxyphenyl)butanamide
CID 95970141
2-bromo-N-(4-bromophenyl)butanamide
CID 25219718
2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
CID 1000871
(2S)-2-bromo-N-(4-ethylphenyl)butanamide
CID 51659893
2-bromo-N-(3-methoxyphenyl)butanamide
CID 50742538
2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 43841950
N-[4-(2-bromobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 62855176
N-methyl-N'-(4-phenoxyphenyl)oxamide
CID 2203829
2-oxo-N-(4-phenoxyphenyl)propanamide
CID 115175317
2-(2-ethylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 43886755
(2R)-2-(3-chlorophenoxy)-N-(4-phenoxyphenyl)butanamide
CID 28576952
2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
CID 18837977

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-phenoxyphenyl)butanamide?
The IUPAC name of 2-bromo-N-(4-phenoxyphenyl)butanamide (CID 63463042) is 2-bromo-N-(4-phenoxyphenyl)butanamide.
What is the SMILES notation for 2-bromo-N-(4-phenoxyphenyl)butanamide?
The canonical SMILES for 2-bromo-N-(4-phenoxyphenyl)butanamide is CCC(Br)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-bromo-N-(4-phenoxyphenyl)butanamide?
The InChIKey is TXGUYHXGKKKKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-2-15(17)16(19)18-12-8-10-14(11-9-12)20-13-6-4-3-5-7-13/h3-11,15H,2H2,1H3,(H,18,19).
What are the key properties of 2-bromo-N-(4-phenoxyphenyl)butanamide?
2-bromo-N-(4-phenoxyphenyl)butanamide has a molecular weight of 334.21 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-phenoxyphenyl)butanamide is sourced from PubChem (CID 63463042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).