N-(5-bromo-2,4-difluorophenyl)-2-morpholin-3-ylacetamide

C12H13BrF2N2O2 — CID 102853805

IUPACN-(5-bromo-2,4-difluorophenyl)-2-morpholin-3-ylacetamide
SMILESO=C(CC1COCCN1)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C12H13BrF2N2O2/c13-8-4-11(10(15)5-9(8)14)17-12(18)3-7-6-19-2-1-16-7/h4-5,7,16H,1-3,6H2,(H,17,18)
InChIKeyJVPWBOGMMMAFDR-UHFFFAOYSA-N
MW335.15 g/mol
LogP2.04
Rot. Bonds3

About N-(5-bromo-2,4-difluorophenyl)-2-morpholin-3-ylacetamide

N-(5-bromo-2,4-difluorophenyl)-2-morpholin-3-ylacetamide (PubChem CID 102853805) has the molecular formula C12H13BrF2N2O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-2-morpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-2-morpholin-3-ylacetamide
PubChem CID102853805
Molecular FormulaC12H13BrF2N2O2
Molecular Weight335.15 g/mol
Exact Mass334.01
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-2-morpholin-3-ylacetamide
SMILESO=C(CC1COCCN1)Nc1cc(Br)c(F)cc1F
InChIInChI=1S/C12H13BrF2N2O2/c13-8-4-11(10(15)5-9(8)14)17-12(18)3-7-6-19-2-1-16-7/h4-5,7,16H,1-3,6H2,(H,17,18)
InChIKeyJVPWBOGMMMAFDR-UHFFFAOYSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-bromo-2,4-difluorophenyl)-2-morpholin-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromo-2,4-difluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 102853687
2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide
CID 102853698
N-(2-hydroxy-4-methoxyphenyl)-2-morpholin-3-ylacetamide
CID 102695154
N-(4-bromo-2,5-difluorophenyl)-2-piperidin-4-ylacetamide
CID 107611674
N-(2-hydroxy-5-methylsulfonylphenyl)-2-morpholin-3-ylacetamide
CID 81422921
1-(2,4-difluorophenyl)-2-morpholin-3-ylethanone
CID 81465797
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(2,4,5-trifluorophenyl)acetamide
CID 80518211
N-(5-bromo-2,4-difluorophenyl)-3-piperidin-4-ylpropanamide
CID 102853722
N-(4-bromo-2,5-difluorophenyl)-3-piperidin-2-ylpropanamide
CID 107611652
1-(5-bromo-2-methylphenyl)-2-morpholin-3-ylethanone
CID 116919919
N-[4-(1,3-dioxolan-2-yl)phenyl]-2-morpholin-3-ylacetamide
CID 106911781
4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide
CID 103548342

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-2-morpholin-3-ylacetamide?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-2-morpholin-3-ylacetamide (CID 102853805) is N-(5-bromo-2,4-difluorophenyl)-2-morpholin-3-ylacetamide.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-2-morpholin-3-ylacetamide?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-2-morpholin-3-ylacetamide is O=C(CC1COCCN1)Nc1cc(Br)c(F)cc1F.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-2-morpholin-3-ylacetamide?
The InChIKey is JVPWBOGMMMAFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2N2O2/c13-8-4-11(10(15)5-9(8)14)17-12(18)3-7-6-19-2-1-16-7/h4-5,7,16H,1-3,6H2,(H,17,18).
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-2-morpholin-3-ylacetamide?
N-(5-bromo-2,4-difluorophenyl)-2-morpholin-3-ylacetamide has a molecular weight of 335.15 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-2-morpholin-3-ylacetamide is sourced from PubChem (CID 102853805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).