4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide

C16H23BrClNO2 — CID 19205848

IUPAC4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide
SMILESCc1cc(OCCCC(=O)NCC(C)C)c(Br)c(C)c1Cl
InChIInChI=1S/C16H23BrClNO2/c1-10(2)9-19-14(20)6-5-7-21-13-8-11(3)16(18)12(4)15(13)17/h8,10H,5-7,9H2,1-4H3,(H,19,20)
InChIKeyHMMRQHRJABXKRK-UHFFFAOYSA-N
MW376.72 g/mol
LogP4.65
Rot. Bonds7

About 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide

4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide (PubChem CID 19205848) has the molecular formula C16H23BrClNO2 and a molecular weight of 376.72 g/mol. Its IUPAC name is 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide
PubChem CID19205848
Molecular FormulaC16H23BrClNO2
Molecular Weight376.72 g/mol
Exact Mass375.06
IUPAC Name4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide
SMILESCc1cc(OCCCC(=O)NCC(C)C)c(Br)c(C)c1Cl
InChIInChI=1S/C16H23BrClNO2/c1-10(2)9-19-14(20)6-5-7-21-13-8-11(3)16(18)12(4)15(13)17/h8,10H,5-7,9H2,1-4H3,(H,19,20)
InChIKeyHMMRQHRJABXKRK-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.72
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzhydryl-4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanamide
CID 19205916
4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 19205871
4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-cyclododecylbutanamide
CID 19205855
4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 19205951
4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(oxolan-2-ylmethyl)butanamide
CID 19205856
4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 19205915
N-(4-acetylphenyl)-4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanamide
CID 19205996
(2,6-dimethylphenyl) 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoate
CID 19206055
4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-[4-chloro-3-(trifluoromethyl)phenyl]butanamide
CID 19205971
2-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-prop-2-enylacetamide
CID 19201327
4-(2-bromo-4-tert-butylphenoxy)-N-(2-methylpropyl)butanamide
CID 19201294
(2-phenylphenyl) 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoate
CID 19206077

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide?
The IUPAC name of 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide (CID 19205848) is 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide?
The canonical SMILES for 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide is Cc1cc(OCCCC(=O)NCC(C)C)c(Br)c(C)c1Cl.
What is the InChIKey of 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide?
The InChIKey is HMMRQHRJABXKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrClNO2/c1-10(2)9-19-14(20)6-5-7-21-13-8-11(3)16(18)12(4)15(13)17/h8,10H,5-7,9H2,1-4H3,(H,19,20).
What are the key properties of 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide?
4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide has a molecular weight of 376.72 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 19205848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).