4-(2-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)butanamide

C16H15BrClNO3 — CID 56581582

IUPAC4-(2-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)butanamide
SMILESO=C(CCCOc1ccccc1Br)Nc1cc(Cl)ccc1O
InChIInChI=1S/C16H15BrClNO3/c17-12-4-1-2-5-15(12)22-9-3-6-16(21)19-13-10-11(18)7-8-14(13)20/h1-2,4-5,7-8,10,20H,3,6,9H2,(H,19,21)
InChIKeyMHPZHJKFEKVONM-UHFFFAOYSA-N
MW384.66 g/mol
LogP4.61
Rot. Bonds6

About 4-(2-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)butanamide

4-(2-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)butanamide (PubChem CID 56581582) has the molecular formula C16H15BrClNO3 and a molecular weight of 384.66 g/mol. Its IUPAC name is 4-(2-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)butanamide.

Molecular Properties

Compound Name4-(2-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)butanamide
PubChem CID56581582
Molecular FormulaC16H15BrClNO3
Molecular Weight384.66 g/mol
Exact Mass382.99
IUPAC Name4-(2-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)butanamide
SMILESO=C(CCCOc1ccccc1Br)Nc1cc(Cl)ccc1O
InChIInChI=1S/C16H15BrClNO3/c17-12-4-1-2-5-15(12)22-9-3-6-16(21)19-13-10-11(18)7-8-14(13)20/h1-2,4-5,7-8,10,20H,3,6,9H2,(H,19,21)
InChIKeyMHPZHJKFEKVONM-UHFFFAOYSA-N
XLogP4.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.66
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide
CID 2177409
N-(5-chloro-2-hydroxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 893841
N-(5-chloro-2-hydroxyphenyl)-4-(4-chlorophenyl)butanamide
CID 56581213
4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide
CID 2838387
4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 84552445
4-(2-bromo-4-propan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 19206295
4-hydroxy-3-[4-(2-methylphenoxy)butanoylamino]benzoic acid
CID 108753983
4-(4-chloro-2-methylphenoxy)-N-(5-ethylsulfonyl-2-hydroxyphenyl)butanamide
CID 35978441
4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 84553914
N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide
CID 2165687
1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883820
N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide
CID 28515757

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)butanamide?
The IUPAC name of 4-(2-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)butanamide (CID 56581582) is 4-(2-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)butanamide.
What is the SMILES notation for 4-(2-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)butanamide?
The canonical SMILES for 4-(2-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)butanamide is O=C(CCCOc1ccccc1Br)Nc1cc(Cl)ccc1O.
What is the InChIKey of 4-(2-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)butanamide?
The InChIKey is MHPZHJKFEKVONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO3/c17-12-4-1-2-5-15(12)22-9-3-6-16(21)19-13-10-11(18)7-8-14(13)20/h1-2,4-5,7-8,10,20H,3,6,9H2,(H,19,21).
What are the key properties of 4-(2-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)butanamide?
4-(2-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)butanamide has a molecular weight of 384.66 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenoxy)-N-(5-chloro-2-hydroxyphenyl)butanamide is sourced from PubChem (CID 56581582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).