2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide

C11H11BrF2N2O — CID 102853698

IUPAC2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide
SMILESO=C(CC1CNC1)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C11H11BrF2N2O/c12-7-2-10(9(14)3-8(7)13)16-11(17)1-6-4-15-5-6/h2-3,6,15H,1,4-5H2,(H,16,17)
InChIKeyFCVBZYHWVNAWGG-UHFFFAOYSA-N
MW305.12 g/mol
LogP2.28
Rot. Bonds3

About 2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide

2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide (PubChem CID 102853698) has the molecular formula C11H11BrF2N2O and a molecular weight of 305.12 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide
PubChem CID102853698
Molecular FormulaC11H11BrF2N2O
Molecular Weight305.12 g/mol
Exact Mass304.00
IUPAC Name2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide
SMILESO=C(CC1CNC1)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C11H11BrF2N2O/c12-7-2-10(9(14)3-8(7)13)16-11(17)1-6-4-15-5-6/h2-3,6,15H,1,4-5H2,(H,16,17)
InChIKeyFCVBZYHWVNAWGG-UHFFFAOYSA-N
XLogP2.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide
CID 107611674
2-(azetidin-3-yl)-N-(2-bromo-4,6-difluorophenyl)acetamide
CID 64616549
N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide
CID 102853722
N-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 102853687
2-(azetidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 64617943
2-(azetidin-3-yl)-N-(2-bromo-5-methylphenyl)acetamide
CID 82756641
N-(5-bromo-2,4-difluorophenyl)-2-morpholin-3-ylacetamide
CID 102853805
N-(4-bromo-2,5-difluorophenyl)-2-(cyclopropylmethylamino)acetamide
CID 107611744
2,4-difluoro-5-[(2-piperidin-3-ylacetyl)amino]benzoic acid
CID 62675414
N-(5-bromo-2,4-difluorophenyl)-2-(cyclopentylamino)acetamide
CID 102853789
N-(3-bromo-4-fluorophenyl)-2-pyrrolidin-3-ylacetamide
CID 113452141
2-(azetidin-3-ylmethylsulfanyl)-N-(4-bromo-2-fluorophenyl)acetamide
CID 66289258

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide (CID 102853698) is 2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide is O=C(CC1CNC1)Nc1cc(Br)c(F)cc1F.
What is the InChIKey of 2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide?
The InChIKey is FCVBZYHWVNAWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N2O/c12-7-2-10(9(14)3-8(7)13)16-11(17)1-6-4-15-5-6/h2-3,6,15H,1,4-5H2,(H,16,17).
What are the key properties of 2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide?
2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide has a molecular weight of 305.12 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide is sourced from PubChem (CID 102853698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).