2,3,4,5,6-pentafluoro-N-(2-methoxy-4-nitrophenyl)benzamide

C14H7F5N2O4 — CID 2933477

IUPAC2,3,4,5,6-pentafluoro-N-(2-methoxy-4-nitrophenyl)benzamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H7F5N2O4/c1-25-7-4-5(21(23)24)2-3-6(7)20-14(22)8-9(15)11(17)13(19)12(18)10(8)16/h2-4H,1H3,(H,20,22)
InChIKeyRMHZTUHJSVFFAA-UHFFFAOYSA-N
MW362.21 g/mol
LogP3.55
Rot. Bonds4

About 2,3,4,5,6-pentafluoro-N-(2-methoxy-4-nitrophenyl)benzamide

2,3,4,5,6-pentafluoro-N-(2-methoxy-4-nitrophenyl)benzamide (PubChem CID 2933477) has the molecular formula C14H7F5N2O4 and a molecular weight of 362.21 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(2-methoxy-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(2-methoxy-4-nitrophenyl)benzamide
PubChem CID2933477
Molecular FormulaC14H7F5N2O4
Molecular Weight362.21 g/mol
Exact Mass362.03
IUPAC Name2,3,4,5,6-pentafluoro-N-(2-methoxy-4-nitrophenyl)benzamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H7F5N2O4/c1-25-7-4-5(21(23)24)2-3-6(7)20-14(22)8-9(15)11(17)13(19)12(18)10(8)16/h2-4H,1H3,(H,20,22)
InChIKeyRMHZTUHJSVFFAA-UHFFFAOYSA-N
XLogP3.55
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-(2-methoxy-4-nitrophenyl)benzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(2-methoxy-4-nitrophenyl)benzamide (CID 2933477) is 2,3,4,5,6-pentafluoro-N-(2-methoxy-4-nitrophenyl)benzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(2-methoxy-4-nitrophenyl)benzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(2-methoxy-4-nitrophenyl)benzamide is COc1cc([N+](=O)[O-])ccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(2-methoxy-4-nitrophenyl)benzamide?
The InChIKey is RMHZTUHJSVFFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F5N2O4/c1-25-7-4-5(21(23)24)2-3-6(7)20-14(22)8-9(15)11(17)13(19)12(18)10(8)16/h2-4H,1H3,(H,20,22).
What are the key properties of 2,3,4,5,6-pentafluoro-N-(2-methoxy-4-nitrophenyl)benzamide?
2,3,4,5,6-pentafluoro-N-(2-methoxy-4-nitrophenyl)benzamide has a molecular weight of 362.21 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-(2-methoxy-4-nitrophenyl)benzamide is sourced from PubChem (CID 2933477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).