4-(4-bromo-2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide

C18H24BrClN2O3 — CID 108553543

IUPAC4-(4-bromo-2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
SMILESCCC(=O)N1CCC(NC(=O)CCCOc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C18H24BrClN2O3/c1-2-18(24)22-9-7-14(8-10-22)21-17(23)4-3-11-25-16-6-5-13(19)12-15(16)20/h5-6,12,14H,2-4,7-11H2,1H3,(H,21,23)
InChIKeyNUZSUICGNUALSI-UHFFFAOYSA-N
MW431.76 g/mol
LogP3.78
Rot. Bonds7

About 4-(4-bromo-2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide

4-(4-bromo-2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide (PubChem CID 108553543) has the molecular formula C18H24BrClN2O3 and a molecular weight of 431.76 g/mol. Its IUPAC name is 4-(4-bromo-2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name4-(4-bromo-2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
PubChem CID108553543
Molecular FormulaC18H24BrClN2O3
Molecular Weight431.76 g/mol
Exact Mass430.07
IUPAC Name4-(4-bromo-2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
SMILESCCC(=O)N1CCC(NC(=O)CCCOc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C18H24BrClN2O3/c1-2-18(24)22-9-7-14(8-10-22)21-17(23)4-3-11-25-16-6-5-13(19)12-15(16)20/h5-6,12,14H,2-4,7-11H2,1H3,(H,21,23)
InChIKeyNUZSUICGNUALSI-UHFFFAOYSA-N
XLogP3.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.76
LogP ≤ 53.78
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

N-[1-[4-(4-bromo-2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108565383
4-(2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108553694
2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide
CID 108553385
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]butanamide
CID 108565449
N-(1-acetylpiperidin-4-yl)-4-(2-bromo-4-tert-butylphenoxy)butanamide
CID 108561147
4-(2-chlorophenoxy)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]butanamide
CID 49380926
4-(2-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]butanamide
CID 108561216
N-[3-(4-bromo-2-chlorophenoxy)propyl]-4-methylpiperidine-1-carboxamide
CID 108882317
4-(2-chlorophenoxy)-N-(1-ethylsulfonylpiperidin-4-yl)butanamide
CID 49375250
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-3-phenylpropanamide
CID 108555450
4-(2-chlorophenoxy)-N-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]butanamide
CID 108561213
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-ethylbutanamide
CID 108555612

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide?
The IUPAC name of 4-(4-bromo-2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide (CID 108553543) is 4-(4-bromo-2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide.
What is the SMILES notation for 4-(4-bromo-2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide?
The canonical SMILES for 4-(4-bromo-2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide is CCC(=O)N1CCC(NC(=O)CCCOc2ccc(Br)cc2Cl)CC1.
What is the InChIKey of 4-(4-bromo-2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide?
The InChIKey is NUZSUICGNUALSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrClN2O3/c1-2-18(24)22-9-7-14(8-10-22)21-17(23)4-3-11-25-16-6-5-13(19)12-15(16)20/h5-6,12,14H,2-4,7-11H2,1H3,(H,21,23).
What are the key properties of 4-(4-bromo-2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide?
4-(4-bromo-2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide has a molecular weight of 431.76 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-chlorophenoxy)-N-(1-propanoylpiperidin-4-yl)butanamide is sourced from PubChem (CID 108553543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).