N-(5-bromo-2-chlorophenyl)-5-hydroxypentanamide

C11H13BrClNO2 — CID 79198656

IUPACN-(5-bromo-2-chlorophenyl)-5-hydroxypentanamide
SMILESO=C(CCCCO)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C11H13BrClNO2/c12-8-4-5-9(13)10(7-8)14-11(16)3-1-2-6-15/h4-5,7,15H,1-3,6H2,(H,14,16)
InChIKeyBPQYPMOKEYFVDW-UHFFFAOYSA-N
MW306.59 g/mol
LogP3.20
Rot. Bonds5

About N-(5-bromo-2-chlorophenyl)-5-hydroxypentanamide

N-(5-bromo-2-chlorophenyl)-5-hydroxypentanamide (PubChem CID 79198656) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-5-hydroxypentanamide.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-5-hydroxypentanamide
PubChem CID79198656
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC NameN-(5-bromo-2-chlorophenyl)-5-hydroxypentanamide
SMILESO=C(CCCCO)Nc1cc(Br)ccc1Cl
InChIInChI=1S/C11H13BrClNO2/c12-8-4-5-9(13)10(7-8)14-11(16)3-1-2-6-15/h4-5,7,15H,1-3,6H2,(H,14,16)
InChIKeyBPQYPMOKEYFVDW-UHFFFAOYSA-N
XLogP3.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-chlorophenyl)-3-(methylamino)propanamide
CID 62908403
N-(5-bromo-2-chlorophenyl)-4-hydroxypentanamide
CID 79192467
N-(5-bromo-2-chlorophenyl)-3-phenylpropanamide
CID 62908416
5-(5-bromo-2-chloroanilino)pentan-1-ol
CID 62914130
N-(4-chloro-3-pyridinyl)-5-hydroxypentanamide
CID 83166682
N-(2-chloro-5-nitrophenyl)-4-hydroxybutanamide
CID 79200872
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723
N-(5-bromo-2-chlorophenyl)-3-(furan-2-yl)propanamide
CID 62909114
N-(5-chloro-2-fluorophenyl)-5-hydroxypentanamide
CID 79199616
4-chloro-N-(2,5-dibromophenyl)butanamide
CID 63307782
N-(5-bromo-2-chlorophenyl)-2-cyclobutylacetamide
CID 103707266
N-(2,5-dichlorophenyl)hexanamide
CID 5055577

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-5-hydroxypentanamide?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-5-hydroxypentanamide (CID 79198656) is N-(5-bromo-2-chlorophenyl)-5-hydroxypentanamide.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-5-hydroxypentanamide?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-5-hydroxypentanamide is O=C(CCCCO)Nc1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-5-hydroxypentanamide?
The InChIKey is BPQYPMOKEYFVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c12-8-4-5-9(13)10(7-8)14-11(16)3-1-2-6-15/h4-5,7,15H,1-3,6H2,(H,14,16).
What are the key properties of N-(5-bromo-2-chlorophenyl)-5-hydroxypentanamide?
N-(5-bromo-2-chlorophenyl)-5-hydroxypentanamide has a molecular weight of 306.59 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chlorophenyl)-5-hydroxypentanamide is sourced from PubChem (CID 79198656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).