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

C14H20BrNO — CID 63463837

IUPAC2-bromo-N-(4-butylphenyl)butanamide
SMILESCCCCc1ccc(NC(=O)C(Br)CC)cc1
InChIInChI=1S/C14H20BrNO/c1-3-5-6-11-7-9-12(10-8-11)16-14(17)13(15)4-2/h7-10,13H,3-6H2,1-2H3,(H,16,17)
InChIKeyJJPBPHSVRWDMLQ-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.14
Rot. Bonds6

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

2-bromo-N-(4-butylphenyl)butanamide (PubChem CID 63463837) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-bromo-N-(4-butylphenyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(4-butylphenyl)butanamide
PubChem CID63463837
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-bromo-N-(4-butylphenyl)butanamide
SMILESCCCCc1ccc(NC(=O)C(Br)CC)cc1
InChIInChI=1S/C14H20BrNO/c1-3-5-6-11-7-9-12(10-8-11)16-14(17)13(15)4-2/h7-10,13H,3-6H2,1-2H3,(H,16,17)
InChIKeyJJPBPHSVRWDMLQ-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.14
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

(2S)-2-bromo-N-(4-ethylphenyl)butanamide
CID 51659893
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
(2S)-2-bromo-N-(4-butoxyphenyl)butanamide
CID 95970141
2-bromo-N-(4-bromophenyl)butanamide
CID 25219718
(2S)-N-(4-butylphenyl)-2-(methylamino)propanamide
CID 94434276
(2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide
CID 79011565
2-amino-N-(4-butylphenyl)pentanamide
CID 43650280
N-[4-(2-bromobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 62855176
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
(2R)-N-(4-butylphenyl)-2-methoxy-2-phenylacetamide
CID 2207661
1-(4-butylphenyl)-3-pentan-3-ylurea
CID 17279678
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-butylphenyl)butanamide?
The IUPAC name of 2-bromo-N-(4-butylphenyl)butanamide (CID 63463837) is 2-bromo-N-(4-butylphenyl)butanamide.
What is the SMILES notation for 2-bromo-N-(4-butylphenyl)butanamide?
The canonical SMILES for 2-bromo-N-(4-butylphenyl)butanamide is CCCCc1ccc(NC(=O)C(Br)CC)cc1.
What is the InChIKey of 2-bromo-N-(4-butylphenyl)butanamide?
The InChIKey is JJPBPHSVRWDMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-3-5-6-11-7-9-12(10-8-11)16-14(17)13(15)4-2/h7-10,13H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-bromo-N-(4-butylphenyl)butanamide?
2-bromo-N-(4-butylphenyl)butanamide has a molecular weight of 298.22 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-butylphenyl)butanamide is sourced from PubChem (CID 63463837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).