4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide

C19H20BrCl2NO2 — CID 19206246

IUPAC4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide
SMILESCC(C)c1ccc(OCCCC(=O)Nc2cc(Cl)cc(Cl)c2)c(Br)c1
InChIInChI=1S/C19H20BrCl2NO2/c1-12(2)13-5-6-18(17(20)8-13)25-7-3-4-19(24)23-16-10-14(21)9-15(22)11-16/h5-6,8-12H,3-4,7H2,1-2H3,(H,23,24)
InChIKeyNDXGZDNUJCEARI-UHFFFAOYSA-N
MW445.18 g/mol
LogP6.68
Rot. Bonds7

About 4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide

4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide (PubChem CID 19206246) has the molecular formula C19H20BrCl2NO2 and a molecular weight of 445.18 g/mol. Its IUPAC name is 4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide.

Molecular Properties

Compound Name4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide
PubChem CID19206246
Molecular FormulaC19H20BrCl2NO2
Molecular Weight445.18 g/mol
Exact Mass443.01
IUPAC Name4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide
SMILESCC(C)c1ccc(OCCCC(=O)Nc2cc(Cl)cc(Cl)c2)c(Br)c1
InChIInChI=1S/C19H20BrCl2NO2/c1-12(2)13-5-6-18(17(20)8-13)25-7-3-4-19(24)23-16-10-14(21)9-15(22)11-16/h5-6,8-12H,3-4,7H2,1-2H3,(H,23,24)
InChIKeyNDXGZDNUJCEARI-UHFFFAOYSA-N
XLogP6.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.18
LogP ≤ 56.68
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

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-(3,4-dimethoxyphenyl)butanamide
CID 19206218
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methoxyphenyl)butanamide
CID 19206206
4-(2-bromo-4-propan-2-ylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 19206295
4-(2-bromo-4-propan-2-ylphenoxy)-N-[4-(diethylamino)phenyl]butanamide
CID 19206319
methyl 3-[4-(2-bromo-4-propan-2-ylphenoxy)butanoylamino]benzoate
CID 19206221
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-pentoxyphenyl)butanamide
CID 19206216
N-(2-bromophenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19206365
N'-[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 3329498
N-(4-bromo-2-methylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19229080
4-(2-bromo-4-propan-2-ylphenoxy)-N-butan-2-ylbutanamide
CID 19206333

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide?
The IUPAC name of 4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide (CID 19206246) is 4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide.
What is the SMILES notation for 4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide?
The canonical SMILES for 4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide is CC(C)c1ccc(OCCCC(=O)Nc2cc(Cl)cc(Cl)c2)c(Br)c1.
What is the InChIKey of 4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide?
The InChIKey is NDXGZDNUJCEARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrCl2NO2/c1-12(2)13-5-6-18(17(20)8-13)25-7-3-4-19(24)23-16-10-14(21)9-15(22)11-16/h5-6,8-12H,3-4,7H2,1-2H3,(H,23,24).
What are the key properties of 4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide?
4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide has a molecular weight of 445.18 g/mol, XLogP of 6.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4-propan-2-ylphenoxy)-N-(3,5-dichlorophenyl)butanamide is sourced from PubChem (CID 19206246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).