1-(2,5-difluoro-3-nitrophenyl)-2-(3-methylphenyl)ethanone

C15H11F2NO3 — CID 107122498

IUPAC1-(2,5-difluoro-3-nitrophenyl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)c2cc(F)cc([N+](=O)[O-])c2F)c1
InChIInChI=1S/C15H11F2NO3/c1-9-3-2-4-10(5-9)6-14(19)12-7-11(16)8-13(15(12)17)18(20)21/h2-5,7-8H,6H2,1H3
InChIKeyMAMOVZHHGWYWTR-UHFFFAOYSA-N
MW291.25 g/mol
LogP3.61
Rot. Bonds4

About 1-(2,5-difluoro-3-nitrophenyl)-2-(3-methylphenyl)ethanone

1-(2,5-difluoro-3-nitrophenyl)-2-(3-methylphenyl)ethanone (PubChem CID 107122498) has the molecular formula C15H11F2NO3 and a molecular weight of 291.25 g/mol. Its IUPAC name is 1-(2,5-difluoro-3-nitrophenyl)-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-difluoro-3-nitrophenyl)-2-(3-methylphenyl)ethanone
PubChem CID107122498
Molecular FormulaC15H11F2NO3
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Name1-(2,5-difluoro-3-nitrophenyl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)c2cc(F)cc([N+](=O)[O-])c2F)c1
InChIInChI=1S/C15H11F2NO3/c1-9-3-2-4-10(5-9)6-14(19)12-7-11(16)8-13(15(12)17)18(20)21/h2-5,7-8H,6H2,1H3
InChIKeyMAMOVZHHGWYWTR-UHFFFAOYSA-N
XLogP3.61
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 53.61
H-Bond Donors ≤ 50
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'}

Analyze 1-(2,5-difluoro-3-nitrophenyl)-2-(3-methylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorophenyl)-1-(2,5-difluoro-3-nitrophenyl)ethanone
CID 107122499
2-(3-fluorophenyl)-1-(5-methyl-2-nitrophenyl)ethanone
CID 65462026
1-(3-methyl-4-nitrophenyl)-2-(3-methylphenyl)ethanone
CID 62389970
1-(2,5-difluoro-3-nitrophenyl)-2-pyridin-2-ylethanone
CID 107122512
2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)ethanone
CID 61079352
2-(3-bromophenyl)-1-(5-methyl-2-nitrophenyl)ethanone
CID 65462426
2-(3-chlorophenyl)-1-(5-methyl-2-nitrophenyl)ethanone
CID 65462629
benzyl 2,5-difluoro-3-nitrobenzoate
CID 107123592
2-(3-fluorophenyl)-1-(4-methyl-3-nitrophenyl)ethanone
CID 61079539
2,5-difluoro-3-nitrobenzoic acid
CID 15622527
N-[2-[2-(3-methylphenyl)acetyl]phenyl]-4-nitrobenzamide
CID 158380804
1-(5-methyl-2-nitrophenyl)-2-(4-methylphenyl)ethanone
CID 65462224

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-3-nitrophenyl)-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-(2,5-difluoro-3-nitrophenyl)-2-(3-methylphenyl)ethanone (CID 107122498) is 1-(2,5-difluoro-3-nitrophenyl)-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-(2,5-difluoro-3-nitrophenyl)-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-(2,5-difluoro-3-nitrophenyl)-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)c2cc(F)cc([N+](=O)[O-])c2F)c1.
What is the InChIKey of 1-(2,5-difluoro-3-nitrophenyl)-2-(3-methylphenyl)ethanone?
The InChIKey is MAMOVZHHGWYWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3/c1-9-3-2-4-10(5-9)6-14(19)12-7-11(16)8-13(15(12)17)18(20)21/h2-5,7-8H,6H2,1H3.
What are the key properties of 1-(2,5-difluoro-3-nitrophenyl)-2-(3-methylphenyl)ethanone?
1-(2,5-difluoro-3-nitrophenyl)-2-(3-methylphenyl)ethanone has a molecular weight of 291.25 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-3-nitrophenyl)-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 107122498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).