N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide

C14H11FN2O4 — CID 47844867

IUPACN-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C14H11FN2O4/c1-21-11-6-7-13(17(19)20)12(8-11)14(18)16-10-4-2-9(15)3-5-10/h2-8H,1H3,(H,16,18)
InChIKeyOSMORUWYRQYUHX-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.99
Rot. Bonds4

About N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide

N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide (PubChem CID 47844867) has the molecular formula C14H11FN2O4 and a molecular weight of 290.25 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide
PubChem CID47844867
Molecular FormulaC14H11FN2O4
Molecular Weight290.25 g/mol
Exact Mass290.07
IUPAC NameN-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide
SMILESCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C14H11FN2O4/c1-21-11-6-7-13(17(19)20)12(8-11)14(18)16-10-4-2-9(15)3-5-10/h2-8H,1H3,(H,16,18)
InChIKeyOSMORUWYRQYUHX-UHFFFAOYSA-N
XLogP2.99
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
CID 131864696
5-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide
CID 47847255
N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
CID 62167428
dimethyl 5-[(5-methoxy-2-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
CID 47845357
5-methoxy-2-nitro-N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)benzamide
CID 59848994
5-methoxy-2-nitro-N-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 47858544
5-methoxy-2-nitro-N-pyridin-3-ylbenzamide
CID 47401859
N-(4-ethylphenyl)-5-fluoro-2-nitrobenzamide
CID 60875833
2-amino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 82547001
2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide
CID 10968180
N-(4-acetamidophenyl)-2-nitro-5-(2,2,2-trifluoroethoxy)benzamide
CID 55752418
2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide
CID 115736092

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide?
The IUPAC name of N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide (CID 47844867) is N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide?
The canonical SMILES for N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide is COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide?
The InChIKey is OSMORUWYRQYUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4/c1-21-11-6-7-13(17(19)20)12(8-11)14(18)16-10-4-2-9(15)3-5-10/h2-8H,1H3,(H,16,18).
What are the key properties of N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide?
N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide has a molecular weight of 290.25 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-methoxy-2-nitrobenzamide is sourced from PubChem (CID 47844867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).