2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide

C14H10F2N2O3 — CID 80710679

IUPAC2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1F
InChIInChI=1S/C14H10F2N2O3/c1-8-3-2-4-10(13(8)16)14(19)17-12-7-9(18(20)21)5-6-11(12)15/h2-7H,1H3,(H,17,19)
InChIKeyGYJHOLQCKXCLBM-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.43
Rot. Bonds3

About 2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide

2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide (PubChem CID 80710679) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is 2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide
PubChem CID80710679
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Name2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1F
InChIInChI=1S/C14H10F2N2O3/c1-8-3-2-4-10(13(8)16)14(19)17-12-7-9(18(20)21)5-6-11(12)15/h2-7H,1H3,(H,17,19)
InChIKeyGYJHOLQCKXCLBM-UHFFFAOYSA-N
XLogP3.43
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 53.43
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

2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863233
N-(2-bromo-5-nitrophenyl)-2,3-difluorobenzamide
CID 81495048
2-amino-N-(2-fluoro-5-nitrophenyl)-5-methylbenzamide
CID 62510366
2,3-dimethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 30951453
N-(2-hydroxy-5-nitrophenyl)-2,3-dimethylbenzamide
CID 103863236
2-methyl-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
CID 60594295
2-chloro-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 17102140
N-(5-amino-2-fluorophenyl)-2-[2-[(2-fluoro-5-nitrophenyl)carbamoyl]phenyl]benzamide
CID 67556047
N-(2-hydroxy-5-nitrophenyl)-2-iodo-3-methylbenzamide
CID 103894392
4-amino-N-(2-fluoro-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 81238388
3-bromo-2-fluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 106548159
6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 115496793

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide?
The IUPAC name of 2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide (CID 80710679) is 2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide?
The canonical SMILES for 2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1F.
What is the InChIKey of 2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide?
The InChIKey is GYJHOLQCKXCLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c1-8-3-2-4-10(13(8)16)14(19)17-12-7-9(18(20)21)5-6-11(12)15/h2-7H,1H3,(H,17,19).
What are the key properties of 2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide?
2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide has a molecular weight of 292.24 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-fluoro-5-nitrophenyl)-3-methylbenzamide is sourced from PubChem (CID 80710679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).