N-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide

C19H21Br2NO2 — CID 19206365

IUPACN-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
SMILESCC(C)c1ccc(OCCCC(=O)Nc2ccccc2Br)c(Br)c1
InChIInChI=1S/C19H21Br2NO2/c1-13(2)14-9-10-18(16(21)12-14)24-11-5-8-19(23)22-17-7-4-3-6-15(17)20/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,22,23)
InChIKeyHMFHLQXTJJWCQT-UHFFFAOYSA-N
MW455.19 g/mol
LogP6.13
Rot. Bonds7

About N-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide

N-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide (PubChem CID 19206365) has the molecular formula C19H21Br2NO2 and a molecular weight of 455.19 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
PubChem CID19206365
Molecular FormulaC19H21Br2NO2
Molecular Weight455.19 g/mol
Exact Mass452.99
IUPAC NameN-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
SMILESCC(C)c1ccc(OCCCC(=O)Nc2ccccc2Br)c(Br)c1
InChIInChI=1S/C19H21Br2NO2/c1-13(2)14-9-10-18(16(21)12-14)24-11-5-8-19(23)22-17-7-4-3-6-15(17)20/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,22,23)
InChIKeyHMFHLQXTJJWCQT-UHFFFAOYSA-N
XLogP6.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.19
LogP ≤ 56.13
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-(4-bromo-2-methylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19229080
4-(2-bromo-4-propan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 19206295
4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide
CID 19206246
2-(2-bromo-4-propan-2-ylphenoxy)-N-(2-butoxyphenyl)acetamide
CID 19201746
4-(2-bromo-4-propan-2-ylphenoxy)-N-(3-chlorophenyl)butanamide
CID 19206243
N-(4-acetylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19206321
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methoxyphenyl)butanamide
CID 19206206
4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19206218
methyl 3-[4-(2-bromo-4-propan-2-ylphenoxy)butanoylamino]benzoate
CID 19206221
4-(2-bromo-4-propan-2-ylphenoxy)-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 19206202
4-(2-bromo-4-propan-2-ylphenoxy)-N-butan-2-ylbutanamide
CID 19206333
4-(2-bromo-4-propan-2-ylphenoxy)-N-[4-(diethylamino)phenyl]butanamide
CID 19206319

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide?
The IUPAC name of N-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide (CID 19206365) is N-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide.
What is the SMILES notation for N-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide?
The canonical SMILES for N-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide is CC(C)c1ccc(OCCCC(=O)Nc2ccccc2Br)c(Br)c1.
What is the InChIKey of N-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide?
The InChIKey is HMFHLQXTJJWCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Br2NO2/c1-13(2)14-9-10-18(16(21)12-14)24-11-5-8-19(23)22-17-7-4-3-6-15(17)20/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,22,23).
What are the key properties of N-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide?
N-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide has a molecular weight of 455.19 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide is sourced from PubChem (CID 19206365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).