5-bromo-N-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]propyl]cyclopropyl]pentanamide

C19H26BrClN2O3 — CID 137400296

IUPAC5-bromo-N-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]propyl]cyclopropyl]pentanamide
SMILESCCC(NC(=O)COc1ccc(Cl)cc1)C1CC1NC(=O)CCCCBr
InChIInChI=1S/C19H26BrClN2O3/c1-2-16(15-11-17(15)23-18(24)5-3-4-10-20)22-19(25)12-26-14-8-6-13(21)7-9-14/h6-9,15-17H,2-5,10-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyDHQYNBRKVDBELN-UHFFFAOYSA-N
MW445.79 g/mol
LogP3.68
Rot. Bonds11

About 5-bromo-N-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]propyl]cyclopropyl]pentanamide

5-bromo-N-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]propyl]cyclopropyl]pentanamide (PubChem CID 137400296) has the molecular formula C19H26BrClN2O3 and a molecular weight of 445.79 g/mol. Its IUPAC name is 5-bromo-N-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]propyl]cyclopropyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]propyl]cyclopropyl]pentanamide
PubChem CID137400296
Molecular FormulaC19H26BrClN2O3
Molecular Weight445.79 g/mol
Exact Mass444.08
IUPAC Name5-bromo-N-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]propyl]cyclopropyl]pentanamide
SMILESCCC(NC(=O)COc1ccc(Cl)cc1)C1CC1NC(=O)CCCCBr
InChIInChI=1S/C19H26BrClN2O3/c1-2-16(15-11-17(15)23-18(24)5-3-4-10-20)22-19(25)12-26-14-8-6-13(21)7-9-14/h6-9,15-17H,2-5,10-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyDHQYNBRKVDBELN-UHFFFAOYSA-N
XLogP3.68
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.79
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenoxy)-N-[(1S,2R)-2-ethoxycyclopropyl]butanamide
CID 99798338
N-[(2S,4R)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[3.1.0]hexanyl]-2-propoxyacetamide
CID 137399683
5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide
CID 107908718
2-(4-chlorophenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 74554708
2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide
CID 30399638
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenoxy)acetamide
CID 18555875
2-(4-acetylphenoxy)-N-[1-(4-chlorophenyl)propyl]acetamide
CID 51318364
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7929636
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7922692
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]cyclopentyl]acetamide
CID 177253885
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086751
2-(4-chlorophenoxy)-N-[(2S)-3-methyl-1-oxobutan-2-yl]acetamide
CID 88598926

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]propyl]cyclopropyl]pentanamide?
The IUPAC name of 5-bromo-N-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]propyl]cyclopropyl]pentanamide (CID 137400296) is 5-bromo-N-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]propyl]cyclopropyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]propyl]cyclopropyl]pentanamide?
The canonical SMILES for 5-bromo-N-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]propyl]cyclopropyl]pentanamide is CCC(NC(=O)COc1ccc(Cl)cc1)C1CC1NC(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]propyl]cyclopropyl]pentanamide?
The InChIKey is DHQYNBRKVDBELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrClN2O3/c1-2-16(15-11-17(15)23-18(24)5-3-4-10-20)22-19(25)12-26-14-8-6-13(21)7-9-14/h6-9,15-17H,2-5,10-12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 5-bromo-N-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]propyl]cyclopropyl]pentanamide?
5-bromo-N-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]propyl]cyclopropyl]pentanamide has a molecular weight of 445.79 g/mol, XLogP of 3.68, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[1-[[2-(4-chlorophenoxy)acetyl]amino]propyl]cyclopropyl]pentanamide is sourced from PubChem (CID 137400296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).