N'-(5-acetamido-2-fluorophenyl)-N-(2-pyridin-2-ylethyl)oxamide

C17H17FN4O3 — CID 86995548

IUPACN'-(5-acetamido-2-fluorophenyl)-N-(2-pyridin-2-ylethyl)oxamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCCc2ccccn2)c1
InChIInChI=1S/C17H17FN4O3/c1-11(23)21-13-5-6-14(18)15(10-13)22-17(25)16(24)20-9-7-12-4-2-3-8-19-12/h2-6,8,10H,7,9H2,1H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyMSDHPAIAUQQCQP-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.48
Rot. Bonds5

About N'-(5-acetamido-2-fluorophenyl)-N-(2-pyridin-2-ylethyl)oxamide

N'-(5-acetamido-2-fluorophenyl)-N-(2-pyridin-2-ylethyl)oxamide (PubChem CID 86995548) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is N'-(5-acetamido-2-fluorophenyl)-N-(2-pyridin-2-ylethyl)oxamide.

Molecular Properties

Compound NameN'-(5-acetamido-2-fluorophenyl)-N-(2-pyridin-2-ylethyl)oxamide
PubChem CID86995548
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC NameN'-(5-acetamido-2-fluorophenyl)-N-(2-pyridin-2-ylethyl)oxamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCCc2ccccn2)c1
InChIInChI=1S/C17H17FN4O3/c1-11(23)21-13-5-6-14(18)15(10-13)22-17(25)16(24)20-9-7-12-4-2-3-8-19-12/h2-6,8,10H,7,9H2,1H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyMSDHPAIAUQQCQP-UHFFFAOYSA-N
XLogP1.48
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(5-acetamido-2-fluorophenyl)-N-(2-pyridin-2-ylethyl)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

1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 71991875
N'-(5-acetamido-2-fluorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]oxamide
CID 86997045
1-(3,5-difluoro-4-methylsulfanylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 75520831
N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane
CID 90877538
1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 770306
N-(2-acetamidoethyl)-N'-(2-fluorophenyl)oxamide
CID 47226224
N-[2-fluoro-5-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 60928627
1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 47032165
1-(2-methylsulfanyl-4-pyridinyl)-3-(2-pyridin-2-ylethyl)urea
CID 75514707
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 108985064
(Z)-2-(methylideneamino)-N-(2-pyridin-2-ylethyl)but-2-enamide
CID 174254808
N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 81466595

Frequently Asked Questions

What is the IUPAC name of N'-(5-acetamido-2-fluorophenyl)-N-(2-pyridin-2-ylethyl)oxamide?
The IUPAC name of N'-(5-acetamido-2-fluorophenyl)-N-(2-pyridin-2-ylethyl)oxamide (CID 86995548) is N'-(5-acetamido-2-fluorophenyl)-N-(2-pyridin-2-ylethyl)oxamide.
What is the SMILES notation for N'-(5-acetamido-2-fluorophenyl)-N-(2-pyridin-2-ylethyl)oxamide?
The canonical SMILES for N'-(5-acetamido-2-fluorophenyl)-N-(2-pyridin-2-ylethyl)oxamide is CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NCCc2ccccn2)c1.
What is the InChIKey of N'-(5-acetamido-2-fluorophenyl)-N-(2-pyridin-2-ylethyl)oxamide?
The InChIKey is MSDHPAIAUQQCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c1-11(23)21-13-5-6-14(18)15(10-13)22-17(25)16(24)20-9-7-12-4-2-3-8-19-12/h2-6,8,10H,7,9H2,1H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of N'-(5-acetamido-2-fluorophenyl)-N-(2-pyridin-2-ylethyl)oxamide?
N'-(5-acetamido-2-fluorophenyl)-N-(2-pyridin-2-ylethyl)oxamide has a molecular weight of 344.35 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-acetamido-2-fluorophenyl)-N-(2-pyridin-2-ylethyl)oxamide is sourced from PubChem (CID 86995548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).