N'-(4-chloro-3-nitrophenyl)-N-[(2-fluorophenyl)methyl]oxamide

C15H11ClFN3O4 — CID 108512828

IUPACN'-(4-chloro-3-nitrophenyl)-N-[(2-fluorophenyl)methyl]oxamide
SMILESO=C(NCc1ccccc1F)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClFN3O4/c16-11-6-5-10(7-13(11)20(23)24)19-15(22)14(21)18-8-9-3-1-2-4-12(9)17/h1-7H,8H2,(H,18,21)(H,19,22)
InChIKeyNKLJTEVATYJRAA-UHFFFAOYSA-N
MW351.72 g/mol
LogP2.64
Rot. Bonds4

About N'-(4-chloro-3-nitrophenyl)-N-[(2-fluorophenyl)methyl]oxamide

N'-(4-chloro-3-nitrophenyl)-N-[(2-fluorophenyl)methyl]oxamide (PubChem CID 108512828) has the molecular formula C15H11ClFN3O4 and a molecular weight of 351.72 g/mol. Its IUPAC name is N'-(4-chloro-3-nitrophenyl)-N-[(2-fluorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(4-chloro-3-nitrophenyl)-N-[(2-fluorophenyl)methyl]oxamide
PubChem CID108512828
Molecular FormulaC15H11ClFN3O4
Molecular Weight351.72 g/mol
Exact Mass351.04
IUPAC NameN'-(4-chloro-3-nitrophenyl)-N-[(2-fluorophenyl)methyl]oxamide
SMILESO=C(NCc1ccccc1F)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClFN3O4/c16-11-6-5-10(7-13(11)20(23)24)19-15(22)14(21)18-8-9-3-1-2-4-12(9)17/h1-7H,8H2,(H,18,21)(H,19,22)
InChIKeyNKLJTEVATYJRAA-UHFFFAOYSA-N
XLogP2.64
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.72
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512810
N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108512848
N-(4-chloro-3-nitrophenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108512870
4-chloro-N-[(2,3-difluorophenyl)methyl]-3-nitroaniline
CID 60721599
N'-(4-chloro-3-nitrophenyl)-N-(4-phenoxyphenyl)oxamide
CID 108511578
N'-(4-chloro-3-nitrophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108512803
N'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108512875
N-(4-chloro-3-nitrophenyl)-3-(2-chlorophenyl)propanamide
CID 17178923
2-chloro-N-[(2-fluorophenyl)methyl]-5-nitrobenzamide
CID 4794287
N'-(4-chloro-3-nitrophenyl)-N-(3-methylsulfanylphenyl)oxamide
CID 108512717
N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108512821
N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide
CID 108506810

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-nitrophenyl)-N-[(2-fluorophenyl)methyl]oxamide?
The IUPAC name of N'-(4-chloro-3-nitrophenyl)-N-[(2-fluorophenyl)methyl]oxamide (CID 108512828) is N'-(4-chloro-3-nitrophenyl)-N-[(2-fluorophenyl)methyl]oxamide.
What is the SMILES notation for N'-(4-chloro-3-nitrophenyl)-N-[(2-fluorophenyl)methyl]oxamide?
The canonical SMILES for N'-(4-chloro-3-nitrophenyl)-N-[(2-fluorophenyl)methyl]oxamide is O=C(NCc1ccccc1F)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N'-(4-chloro-3-nitrophenyl)-N-[(2-fluorophenyl)methyl]oxamide?
The InChIKey is NKLJTEVATYJRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O4/c16-11-6-5-10(7-13(11)20(23)24)19-15(22)14(21)18-8-9-3-1-2-4-12(9)17/h1-7H,8H2,(H,18,21)(H,19,22).
What are the key properties of N'-(4-chloro-3-nitrophenyl)-N-[(2-fluorophenyl)methyl]oxamide?
N'-(4-chloro-3-nitrophenyl)-N-[(2-fluorophenyl)methyl]oxamide has a molecular weight of 351.72 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-3-nitrophenyl)-N-[(2-fluorophenyl)methyl]oxamide is sourced from PubChem (CID 108512828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).