N-(cyanomethyl)-N'-(3-fluoro-5-nitrophenyl)oxamide

C10H7FN4O4 — CID 107335260

IUPACN-(cyanomethyl)-N'-(3-fluoro-5-nitrophenyl)oxamide
SMILESN#CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H7FN4O4/c11-6-3-7(5-8(4-6)15(18)19)14-10(17)9(16)13-2-1-12/h3-5H,2H2,(H,13,16)(H,14,17)
InChIKeyORZHMYCTVSWOKO-UHFFFAOYSA-N
MW266.19 g/mol
LogP0.31
Rot. Bonds3

About N-(cyanomethyl)-N'-(3-fluoro-5-nitrophenyl)oxamide

N-(cyanomethyl)-N'-(3-fluoro-5-nitrophenyl)oxamide (PubChem CID 107335260) has the molecular formula C10H7FN4O4 and a molecular weight of 266.19 g/mol. Its IUPAC name is N-(cyanomethyl)-N'-(3-fluoro-5-nitrophenyl)oxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N'-(3-fluoro-5-nitrophenyl)oxamide
PubChem CID107335260
Molecular FormulaC10H7FN4O4
Molecular Weight266.19 g/mol
Exact Mass266.05
IUPAC NameN-(cyanomethyl)-N'-(3-fluoro-5-nitrophenyl)oxamide
SMILESN#CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H7FN4O4/c11-6-3-7(5-8(4-6)15(18)19)14-10(17)9(16)13-2-1-12/h3-5H,2H2,(H,13,16)(H,14,17)
InChIKeyORZHMYCTVSWOKO-UHFFFAOYSA-N
XLogP0.31
TPSA125.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(cyanomethyl)-N'-(3-fluoro-5-nitrophenyl)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-(3-fluoro-5-nitrophenyl)propanamide
CID 107335364
2-cyano-N-(3-fluoro-5-nitrophenyl)pentanamide
CID 107335262
N-(3-fluoro-5-nitrophenyl)-2-methylpropanamide
CID 107335340
N-(3-fluoro-5-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 107335345
N'-(4-bromo-3-nitrophenyl)-N-(cyanomethyl)oxamide
CID 79767470
4-amino-N-(3-fluoro-5-nitrophenyl)-3-methoxybutanamide
CID 107334980
(2S)-2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylpentanamide
CID 107335024
6-amino-N-(3-fluoro-5-nitrophenyl)-4,4-dimethylhexanamide
CID 107335083
N-(3-fluoro-5-nitrophenyl)-3-methylpyrrolidine-3-carboxamide
CID 107335130
N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
CID 108513374
methyl 2-(3-fluoro-5-nitroanilino)propanoate
CID 60875357
4-[(3-fluoro-5-nitrophenyl)carbamoylamino]pentanoic acid
CID 107335440

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N'-(3-fluoro-5-nitrophenyl)oxamide?
The IUPAC name of N-(cyanomethyl)-N'-(3-fluoro-5-nitrophenyl)oxamide (CID 107335260) is N-(cyanomethyl)-N'-(3-fluoro-5-nitrophenyl)oxamide.
What is the SMILES notation for N-(cyanomethyl)-N'-(3-fluoro-5-nitrophenyl)oxamide?
The canonical SMILES for N-(cyanomethyl)-N'-(3-fluoro-5-nitrophenyl)oxamide is N#CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of N-(cyanomethyl)-N'-(3-fluoro-5-nitrophenyl)oxamide?
The InChIKey is ORZHMYCTVSWOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O4/c11-6-3-7(5-8(4-6)15(18)19)14-10(17)9(16)13-2-1-12/h3-5H,2H2,(H,13,16)(H,14,17).
What are the key properties of N-(cyanomethyl)-N'-(3-fluoro-5-nitrophenyl)oxamide?
N-(cyanomethyl)-N'-(3-fluoro-5-nitrophenyl)oxamide has a molecular weight of 266.19 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N'-(3-fluoro-5-nitrophenyl)oxamide is sourced from PubChem (CID 107335260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).