N-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide

C12H14FN3O3 — CID 47226224

IUPACN-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide
SMILESCC(=O)NCCNC(=O)C(=O)Nc1ccccc1F
InChIInChI=1S/C12H14FN3O3/c1-8(17)14-6-7-15-11(18)12(19)16-10-5-3-2-4-9(10)13/h2-5H,6-7H2,1H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyRHNBSZRTNWCDFV-UHFFFAOYSA-N
MW267.26 g/mol
LogP0.02
Rot. Bonds4

About N-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide

N-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide (PubChem CID 47226224) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide
PubChem CID47226224
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC NameN-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide
SMILESCC(=O)NCCNC(=O)C(=O)Nc1ccccc1F
InChIInChI=1S/C12H14FN3O3/c1-8(17)14-6-7-15-11(18)12(19)16-10-5-3-2-4-9(10)13/h2-5H,6-7H2,1H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyRHNBSZRTNWCDFV-UHFFFAOYSA-N
XLogP0.02
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide 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-[2-(dimethylamino)ethyl]-N'-(2-fluorophenyl)oxamide
CID 7541475
N-(2-acetamidoethyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515229
N-(3-acetamidophenyl)-N'-(2-fluorophenyl)oxamide
CID 108520808
N'-(2-fluorophenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514248
N-(2-acetamidoethyl)-N'-(3-fluorophenyl)oxamide
CID 47226155
N-(2-fluorophenyl)-N'-propan-2-yloxamide
CID 2291553
N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228940
N-(2-acetamidoethyl)-N'-pyridin-2-yloxamide
CID 108525945
N'-(2-fluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497596
(Z)-4-(2-fluoroanilino)-3-methyl-4-oxobut-2-enoic acid
CID 7344015
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-N'-(2-fluorophenyl)oxamide
CID 7639329
N-(2-fluorophenyl)-N'-pyrimidin-2-yloxamide
CID 108520680

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide?
The IUPAC name of N-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide (CID 47226224) is N-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide?
The canonical SMILES for N-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide is CC(=O)NCCNC(=O)C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide?
The InChIKey is RHNBSZRTNWCDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c1-8(17)14-6-7-15-11(18)12(19)16-10-5-3-2-4-9(10)13/h2-5H,6-7H2,1H3,(H,14,17)(H,15,18)(H,16,19).
What are the key properties of N-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide?
N-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide has a molecular weight of 267.26 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide is sourced from PubChem (CID 47226224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).