N-(5-chloro-2-methoxyphenyl)-4-fluoro-3-nitrobenzamide

C14H10ClFN2O4 — CID 3651416

IUPACN-(5-chloro-2-methoxyphenyl)-4-fluoro-3-nitrobenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10ClFN2O4/c1-22-13-5-3-9(15)7-11(13)17-14(19)8-2-4-10(16)12(6-8)18(20)21/h2-7H,1H3,(H,17,19)
InChIKeyYQCHSBNPVLOXAX-UHFFFAOYSA-N
MW324.70 g/mol
LogP3.65
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-4-fluoro-3-nitrobenzamide

N-(5-chloro-2-methoxyphenyl)-4-fluoro-3-nitrobenzamide (PubChem CID 3651416) has the molecular formula C14H10ClFN2O4 and a molecular weight of 324.70 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-fluoro-3-nitrobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-fluoro-3-nitrobenzamide
PubChem CID3651416
Molecular FormulaC14H10ClFN2O4
Molecular Weight324.70 g/mol
Exact Mass324.03
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-fluoro-3-nitrobenzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10ClFN2O4/c1-22-13-5-3-9(15)7-11(13)17-14(19)8-2-4-10(16)12(6-8)18(20)21/h2-7H,1H3,(H,17,19)
InChIKeyYQCHSBNPVLOXAX-UHFFFAOYSA-N
XLogP3.65
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.70
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 N-(5-chloro-2-methoxyphenyl)-4-fluoro-3-nitrobenzamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-fluoro-3-nitrobenzamide (CID 3651416) is N-(5-chloro-2-methoxyphenyl)-4-fluoro-3-nitrobenzamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-fluoro-3-nitrobenzamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-fluoro-3-nitrobenzamide is COc1ccc(Cl)cc1NC(=O)c1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-fluoro-3-nitrobenzamide?
The InChIKey is YQCHSBNPVLOXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O4/c1-22-13-5-3-9(15)7-11(13)17-14(19)8-2-4-10(16)12(6-8)18(20)21/h2-7H,1H3,(H,17,19).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-fluoro-3-nitrobenzamide?
N-(5-chloro-2-methoxyphenyl)-4-fluoro-3-nitrobenzamide has a molecular weight of 324.70 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-fluoro-3-nitrobenzamide is sourced from PubChem (CID 3651416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).