N-(3-bromo-4-hydroxy-5-methylphenyl)-2-(4-propan-2-ylphenoxy)acetamide

C18H20BrNO3 — CID 91674560

IUPACN-(3-bromo-4-hydroxy-5-methylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(NC(=O)COc2ccc(C(C)C)cc2)cc(Br)c1O
InChIInChI=1S/C18H20BrNO3/c1-11(2)13-4-6-15(7-5-13)23-10-17(21)20-14-8-12(3)18(22)16(19)9-14/h4-9,11,22H,10H2,1-3H3,(H,20,21)
InChIKeyHVEFSEKOGKRZHR-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.60
Rot. Bonds5

About N-(3-bromo-4-hydroxy-5-methylphenyl)-2-(4-propan-2-ylphenoxy)acetamide

N-(3-bromo-4-hydroxy-5-methylphenyl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 91674560) has the molecular formula C18H20BrNO3 and a molecular weight of 378.27 g/mol. Its IUPAC name is N-(3-bromo-4-hydroxy-5-methylphenyl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-hydroxy-5-methylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID91674560
Molecular FormulaC18H20BrNO3
Molecular Weight378.27 g/mol
Exact Mass377.06
IUPAC NameN-(3-bromo-4-hydroxy-5-methylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(NC(=O)COc2ccc(C(C)C)cc2)cc(Br)c1O
InChIInChI=1S/C18H20BrNO3/c1-11(2)13-4-6-15(7-5-13)23-10-17(21)20-14-8-12(3)18(22)16(19)9-14/h4-9,11,22H,10H2,1-3H3,(H,20,21)
InChIKeyHVEFSEKOGKRZHR-UHFFFAOYSA-N
XLogP4.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodo-3,5-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 17336026
2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 759062
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502708
2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide
CID 5119773
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 91680781
N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26157459
N-(3-bromo-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 112977351
N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide
CID 17202439
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4949733
N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 53267518
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682450

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-hydroxy-5-methylphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(3-bromo-4-hydroxy-5-methylphenyl)-2-(4-propan-2-ylphenoxy)acetamide (CID 91674560) is N-(3-bromo-4-hydroxy-5-methylphenyl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(3-bromo-4-hydroxy-5-methylphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(3-bromo-4-hydroxy-5-methylphenyl)-2-(4-propan-2-ylphenoxy)acetamide is Cc1cc(NC(=O)COc2ccc(C(C)C)cc2)cc(Br)c1O.
What is the InChIKey of N-(3-bromo-4-hydroxy-5-methylphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is HVEFSEKOGKRZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO3/c1-11(2)13-4-6-15(7-5-13)23-10-17(21)20-14-8-12(3)18(22)16(19)9-14/h4-9,11,22H,10H2,1-3H3,(H,20,21).
What are the key properties of N-(3-bromo-4-hydroxy-5-methylphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(3-bromo-4-hydroxy-5-methylphenyl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 378.27 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-hydroxy-5-methylphenyl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 91674560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).