5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide

C14H10ClFN2O3 — CID 8866239

IUPAC5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H10ClFN2O3/c1-8-6-10(16)3-4-12(8)17-14(19)11-7-9(15)2-5-13(11)18(20)21/h2-7H,1H3,(H,17,19)
InChIKeyKASTUYVQAUBPLS-UHFFFAOYSA-N
MW308.70 g/mol
LogP3.95
Rot. Bonds3

About 5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide

5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide (PubChem CID 8866239) has the molecular formula C14H10ClFN2O3 and a molecular weight of 308.70 g/mol. Its IUPAC name is 5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide
PubChem CID8866239
Molecular FormulaC14H10ClFN2O3
Molecular Weight308.70 g/mol
Exact Mass308.04
IUPAC Name5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H10ClFN2O3/c1-8-6-10(16)3-4-12(8)17-14(19)11-7-9(15)2-5-13(11)18(20)21/h2-7H,1H3,(H,17,19)
InChIKeyKASTUYVQAUBPLS-UHFFFAOYSA-N
XLogP3.95
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.70
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

5-chloro-N-(2-methylphenyl)-2-nitrobenzamide
CID 2599162
5-chloro-N-(2,6-difluoro-3-pyridinyl)-2-nitrobenzamide
CID 103097829
N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide
CID 134120931
5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide
CID 56827700
5-fluoro-N-(3-methyl-4-pyridinyl)-2-nitrobenzamide
CID 63671875
5-amino-N-(5-chloro-2-methylphenyl)-2-nitrobenzamide
CID 62152485
2-bromo-N-(5-chloro-2-nitrophenyl)-4-fluorobenzamide
CID 60955297
5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
N-(4-chloro-2-methylphenyl)-4-methyl-3,5-dinitrobenzamide
CID 19174941
5-fluoro-N-[4-fluoro-2-(3-methylphenyl)phenyl]-2-nitrobenzamide
CID 15946131
N-(2,3-difluorophenyl)-5-fluoro-2-nitrobenzamide
CID 51971054

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide?
The IUPAC name of 5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide (CID 8866239) is 5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide.
What is the SMILES notation for 5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide?
The canonical SMILES for 5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide is Cc1cc(F)ccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide?
The InChIKey is KASTUYVQAUBPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3/c1-8-6-10(16)3-4-12(8)17-14(19)11-7-9(15)2-5-13(11)18(20)21/h2-7H,1H3,(H,17,19).
What are the key properties of 5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide?
5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide has a molecular weight of 308.70 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-fluoro-2-methylphenyl)-2-nitrobenzamide is sourced from PubChem (CID 8866239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).