4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide

C18H20BrNO3 — CID 19201641

IUPAC4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide
SMILESCOc1cccc(NC(=O)CCCOc2ccc(C)cc2Br)c1
InChIInChI=1S/C18H20BrNO3/c1-13-8-9-17(16(19)11-13)23-10-4-7-18(21)20-14-5-3-6-15(12-14)22-2/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,21)
InChIKeyKQJJOBAJYKMUTQ-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.56
Rot. Bonds7

About 4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide

4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide (PubChem CID 19201641) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is 4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide
PubChem CID19201641
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC Name4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide
SMILESCOc1cccc(NC(=O)CCCOc2ccc(C)cc2Br)c1
InChIInChI=1S/C18H20BrNO3/c1-13-8-9-17(16(19)11-13)23-10-4-7-18(21)20-14-5-3-6-15(12-14)22-2/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,21)
InChIKeyKQJJOBAJYKMUTQ-UHFFFAOYSA-N
XLogP4.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1008619
4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19201751
3-(2,5-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 26914656
4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 19202702
4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
CID 7732946
4-(2-bromo-4-methylphenoxy)-N-(4-iodophenyl)butanamide
CID 19202098
2-(2-bromo-4-methylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 17138101
4-(2-bromo-4-methylphenoxy)-N-[4-(diethylamino)phenyl]butanamide
CID 19202635
4-(2-bromo-4-methylphenoxy)-N-[2,6-di(propan-2-yl)phenyl]butanamide
CID 19201602
2-(2-bromo-4-methylphenoxy)-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 17133202
3-(2-chlorophenoxy)-N-(3-methoxyphenyl)propanamide
CID 39087786
4-(2-bromo-4-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide
CID 19202501

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide?
The IUPAC name of 4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide (CID 19201641) is 4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide.
What is the SMILES notation for 4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide?
The canonical SMILES for 4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide is COc1cccc(NC(=O)CCCOc2ccc(C)cc2Br)c1.
What is the InChIKey of 4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide?
The InChIKey is KQJJOBAJYKMUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-13-8-9-17(16(19)11-13)23-10-4-7-18(21)20-14-5-3-6-15(12-14)22-2/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,20,21).
What are the key properties of 4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide?
4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide has a molecular weight of 378.27 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-methylphenoxy)-N-(3-methoxyphenyl)butanamide is sourced from PubChem (CID 19201641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).