N-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide

C14H10F2N2O3 — CID 890522

IUPACN-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide
SMILESCc1cccc(C(=O)Nc2ccc(F)c(F)c2)c1[N+](=O)[O-]
InChIInChI=1S/C14H10F2N2O3/c1-8-3-2-4-10(13(8)18(20)21)14(19)17-9-5-6-11(15)12(16)7-9/h2-7H,1H3,(H,17,19)
InChIKeyDRIRHDYWPYTGTE-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.43
Rot. Bonds3

About N-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide

N-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide (PubChem CID 890522) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide
PubChem CID890522
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC NameN-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide
SMILESCc1cccc(C(=O)Nc2ccc(F)c(F)c2)c1[N+](=O)[O-]
InChIInChI=1S/C14H10F2N2O3/c1-8-3-2-4-10(13(8)18(20)21)14(19)17-9-5-6-11(15)12(16)7-9/h2-7H,1H3,(H,17,19)
InChIKeyDRIRHDYWPYTGTE-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

N-(4-bromo-3-fluorophenyl)-3-methyl-2-nitrobenzamide
CID 65430673
N-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
CID 28739464
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methyl-2-nitrobenzamide
CID 31302777
N-(2-fluoro-4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
CID 64793485
N-[4-(methanesulfonamido)-3-methylphenyl]-3-methyl-2-nitrobenzamide
CID 38299823
2-chloro-N-(3,4-difluorophenyl)-3-nitrobenzamide
CID 115930795
3-methyl-N-[4-(4-methylphenoxy)phenyl]-2-nitrobenzamide
CID 7925169
N-(2,4-dichlorophenyl)-3-methyl-2-nitrobenzamide
CID 5070149
3-methyl-2-nitro-N-(2,4,6-trimethylphenyl)benzamide
CID 4255599
N-(4-ethoxyphenyl)-3-methyl-2-nitrobenzamide
CID 889390
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
2,3-difluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 62660947

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide (CID 890522) is N-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide is Cc1cccc(C(=O)Nc2ccc(F)c(F)c2)c1[N+](=O)[O-].
What is the InChIKey of N-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide?
The InChIKey is DRIRHDYWPYTGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c1-8-3-2-4-10(13(8)18(20)21)14(19)17-9-5-6-11(15)12(16)7-9/h2-7H,1H3,(H,17,19).
What are the key properties of N-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide?
N-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide 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 N-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide is sourced from PubChem (CID 890522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).