N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide

C14H11FN2O3 — CID 2853231

IUPACN-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H11FN2O3/c1-9-2-4-10(5-3-9)14(18)16-11-6-7-12(15)13(8-11)17(19)20/h2-8H,1H3,(H,16,18)
InChIKeyWNDQSOIFUBJSIO-UHFFFAOYSA-N
MW274.25 g/mol
LogP3.29
Rot. Bonds3

About N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide

N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide (PubChem CID 2853231) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
PubChem CID2853231
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC NameN-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H11FN2O3/c1-9-2-4-10(5-3-9)14(18)16-11-6-7-12(15)13(8-11)17(19)20/h2-8H,1H3,(H,16,18)
InChIKeyWNDQSOIFUBJSIO-UHFFFAOYSA-N
XLogP3.29
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 53.29
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

4-(aminomethyl)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 43708425
3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 3323861
N-(3,4-difluorophenyl)-3-methyl-4-nitrobenzamide
CID 786997
4-(difluoromethoxy)-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696939
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
4-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]benzamide
CID 3834916
2-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 40715000
N-(3-bromo-5-methylphenyl)-4-fluoro-3-nitrobenzamide
CID 104938562
2,6-dichloro-N-(4-fluoro-3-nitrophenyl)pyridine-4-carboxamide
CID 60651052
3,5-diethoxy-N-(4-fluoro-3-nitrophenyl)benzamide
CID 875669
N-(4-fluoro-3-nitrophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 17099336
N-(4-fluoro-3-nitrophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 9212079

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide (CID 2853231) is N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide?
The InChIKey is WNDQSOIFUBJSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c1-9-2-4-10(5-3-9)14(18)16-11-6-7-12(15)13(8-11)17(19)20/h2-8H,1H3,(H,16,18).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide?
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide has a molecular weight of 274.25 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide is sourced from PubChem (CID 2853231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).