N-[1-(5-bromo-2-fluorophenyl)-1-cyclopropyl-2-hydroxyethyl]-2-chloroacetamide

C13H14BrClFNO2 — CID 58155316

IUPACN-[1-(5-bromo-2-fluorophenyl)-1-cyclopropyl-2-hydroxyethyl]-2-chloroacetamide
SMILESO=C(CCl)NC(CO)(c1cc(Br)ccc1F)C1CC1
InChIInChI=1S/C13H14BrClFNO2/c14-9-3-4-11(16)10(5-9)13(7-18,8-1-2-8)17-12(19)6-15/h3-5,8,18H,1-2,6-7H2,(H,17,19)
InChIKeyVQDCVOHPMJMWII-UHFFFAOYSA-N
MW350.62 g/mol
LogP2.54
Rot. Bonds5

About N-[1-(5-bromo-2-fluorophenyl)-1-cyclopropyl-2-hydroxyethyl]-2-chloroacetamide

N-[1-(5-bromo-2-fluorophenyl)-1-cyclopropyl-2-hydroxyethyl]-2-chloroacetamide (PubChem CID 58155316) has the molecular formula C13H14BrClFNO2 and a molecular weight of 350.62 g/mol. Its IUPAC name is N-[1-(5-bromo-2-fluorophenyl)-1-cyclopropyl-2-hydroxyethyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[1-(5-bromo-2-fluorophenyl)-1-cyclopropyl-2-hydroxyethyl]-2-chloroacetamide
PubChem CID58155316
Molecular FormulaC13H14BrClFNO2
Molecular Weight350.62 g/mol
Exact Mass348.99
IUPAC NameN-[1-(5-bromo-2-fluorophenyl)-1-cyclopropyl-2-hydroxyethyl]-2-chloroacetamide
SMILESO=C(CCl)NC(CO)(c1cc(Br)ccc1F)C1CC1
InChIInChI=1S/C13H14BrClFNO2/c14-9-3-4-11(16)10(5-9)13(7-18,8-1-2-8)17-12(19)6-15/h3-5,8,18H,1-2,6-7H2,(H,17,19)
InChIKeyVQDCVOHPMJMWII-UHFFFAOYSA-N
XLogP2.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.62
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-fluorophenyl)-1-cyclopropyl-2-hydroxyethyl]-2-chloroacetamide?
The IUPAC name of N-[1-(5-bromo-2-fluorophenyl)-1-cyclopropyl-2-hydroxyethyl]-2-chloroacetamide (CID 58155316) is N-[1-(5-bromo-2-fluorophenyl)-1-cyclopropyl-2-hydroxyethyl]-2-chloroacetamide.
What is the SMILES notation for N-[1-(5-bromo-2-fluorophenyl)-1-cyclopropyl-2-hydroxyethyl]-2-chloroacetamide?
The canonical SMILES for N-[1-(5-bromo-2-fluorophenyl)-1-cyclopropyl-2-hydroxyethyl]-2-chloroacetamide is O=C(CCl)NC(CO)(c1cc(Br)ccc1F)C1CC1.
What is the InChIKey of N-[1-(5-bromo-2-fluorophenyl)-1-cyclopropyl-2-hydroxyethyl]-2-chloroacetamide?
The InChIKey is VQDCVOHPMJMWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClFNO2/c14-9-3-4-11(16)10(5-9)13(7-18,8-1-2-8)17-12(19)6-15/h3-5,8,18H,1-2,6-7H2,(H,17,19).
What are the key properties of N-[1-(5-bromo-2-fluorophenyl)-1-cyclopropyl-2-hydroxyethyl]-2-chloroacetamide?
N-[1-(5-bromo-2-fluorophenyl)-1-cyclopropyl-2-hydroxyethyl]-2-chloroacetamide has a molecular weight of 350.62 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-fluorophenyl)-1-cyclopropyl-2-hydroxyethyl]-2-chloroacetamide is sourced from PubChem (CID 58155316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).