4-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)butanamide

C18H20BrNO4 — CID 2709343

IUPAC4-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCOc2cccc(Br)c2)c(OC)c1
InChIInChI=1S/C18H20BrNO4/c1-22-14-8-9-16(17(12-14)23-2)20-18(21)7-4-10-24-15-6-3-5-13(19)11-15/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,21)
InChIKeyYJTLZGQNLRRVDV-UHFFFAOYSA-N
MW394.27 g/mol
LogP4.26
Rot. Bonds8

About 4-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)butanamide

4-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)butanamide (PubChem CID 2709343) has the molecular formula C18H20BrNO4 and a molecular weight of 394.27 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)butanamide
PubChem CID2709343
Molecular FormulaC18H20BrNO4
Molecular Weight394.27 g/mol
Exact Mass393.06
IUPAC Name4-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCOc2cccc(Br)c2)c(OC)c1
InChIInChI=1S/C18H20BrNO4/c1-22-14-8-9-16(17(12-14)23-2)20-18(21)7-4-10-24-15-6-3-5-13(19)11-15/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,21)
InChIKeyYJTLZGQNLRRVDV-UHFFFAOYSA-N
XLogP4.26
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-bromophenoxy)-N-(2-methylphenyl)butanamide
CID 2086539
4-(3-bromophenoxy)-N-(2,3,4-trifluorophenyl)butanamide
CID 7958724
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
N-(4-bromo-2-fluorophenyl)-4-(4-methoxyphenoxy)butanamide
CID 2711543
N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide
CID 19173646
methyl 3-[4-(3-bromophenoxy)butanoylamino]-4-chlorobenzoate
CID 31525526
N-(2,4-dimethoxyphenyl)-4-(2-nitrophenoxy)butanamide
CID 84549588
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 2600352
4-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-4-oxobutanamide
CID 51143693
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
4-(3-bromophenoxy)-N-tert-butylbutanamide
CID 112763236

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)butanamide?
The IUPAC name of 4-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)butanamide (CID 2709343) is 4-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)butanamide.
What is the SMILES notation for 4-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)butanamide?
The canonical SMILES for 4-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)butanamide is COc1ccc(NC(=O)CCCOc2cccc(Br)c2)c(OC)c1.
What is the InChIKey of 4-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)butanamide?
The InChIKey is YJTLZGQNLRRVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4/c1-22-14-8-9-16(17(12-14)23-2)20-18(21)7-4-10-24-15-6-3-5-13(19)11-15/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,21).
What are the key properties of 4-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)butanamide?
4-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)butanamide has a molecular weight of 394.27 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)butanamide is sourced from PubChem (CID 2709343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).