2-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide

C14H10F2N2O3 — CID 174970161

IUPAC2-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])ccc1-c1ccc(F)cc1F
InChIInChI=1S/C14H10F2N2O3/c1-17-14(19)12-7-9(18(20)21)3-5-10(12)11-4-2-8(15)6-13(11)16/h2-7H,1H3,(H,17,19)
InChIKeyPHUAULWTSNPQSN-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.90
Rot. Bonds3

About 2-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide

2-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide (PubChem CID 174970161) has the molecular formula C14H10F2N2O3 and a molecular weight of 292.24 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide
PubChem CID174970161
Molecular FormulaC14H10F2N2O3
Molecular Weight292.24 g/mol
Exact Mass292.07
IUPAC Name2-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])ccc1-c1ccc(F)cc1F
InChIInChI=1S/C14H10F2N2O3/c1-17-14(19)12-7-9(18(20)21)3-5-10(12)11-4-2-8(15)6-13(11)16/h2-7H,1H3,(H,17,19)
InChIKeyPHUAULWTSNPQSN-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
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-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
2-(methylcarbamoyl)-4-nitrophenolate
CID 7072316
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-5-nitrobenzamide
CID 87020741
2-chloro-N-(2,4-difluorophenyl)-5-nitrobenzamide
CID 776265
2-[2-[(4-fluorobenzoyl)amino]ethylamino]-N-methyl-5-nitrobenzamide
CID 86839616
2-(2-carboxylato-4-nitrophenyl)-5-nitrobenzoate
CID 22133701
2,4-difluoro-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 108808620
2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide
CID 7770244
2-[3-(4-fluorophenyl)sulfanylpropylamino]-N-methyl-5-nitrobenzamide
CID 87020745
N'-acetyl-2-fluoro-5-nitrobenzohydrazide
CID 61216707
[2-(methylcarbamoyl)-5-nitrophenyl]carbamic acid
CID 170316212
N-(2-chloro-5-nitrophenyl)-2,4-difluorobenzamide
CID 127502598

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide (CID 174970161) is 2-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide is CNC(=O)c1cc([N+](=O)[O-])ccc1-c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide?
The InChIKey is PHUAULWTSNPQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O3/c1-17-14(19)12-7-9(18(20)21)3-5-10(12)11-4-2-8(15)6-13(11)16/h2-7H,1H3,(H,17,19).
What are the key properties of 2-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide?
2-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide has a molecular weight of 292.24 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 174970161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).