4-fluoro-5-(methylamino)-2-nitro-N-pyridin-4-ylbenzamide

C13H11FN4O3 — CID 62165049

IUPAC4-fluoro-5-(methylamino)-2-nitro-N-pyridin-4-ylbenzamide
SMILESCNc1cc(C(=O)Nc2ccncc2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C13H11FN4O3/c1-15-11-6-9(12(18(20)21)7-10(11)14)13(19)17-8-2-4-16-5-3-8/h2-7,15H,1H3,(H,16,17,19)
InChIKeyXVTVADBMEXHLMP-UHFFFAOYSA-N
MW290.25 g/mol
LogP2.42
Rot. Bonds4

About 4-fluoro-5-(methylamino)-2-nitro-N-pyridin-4-ylbenzamide

4-fluoro-5-(methylamino)-2-nitro-N-pyridin-4-ylbenzamide (PubChem CID 62165049) has the molecular formula C13H11FN4O3 and a molecular weight of 290.25 g/mol. Its IUPAC name is 4-fluoro-5-(methylamino)-2-nitro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-5-(methylamino)-2-nitro-N-pyridin-4-ylbenzamide
PubChem CID62165049
Molecular FormulaC13H11FN4O3
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name4-fluoro-5-(methylamino)-2-nitro-N-pyridin-4-ylbenzamide
SMILESCNc1cc(C(=O)Nc2ccncc2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C13H11FN4O3/c1-15-11-6-9(12(18(20)21)7-10(11)14)13(19)17-8-2-4-16-5-3-8/h2-7,15H,1H3,(H,16,17,19)
InChIKeyXVTVADBMEXHLMP-UHFFFAOYSA-N
XLogP2.42
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-fluoro-5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzamide
CID 62242174
4-fluoro-5-(methylamino)-2-nitro-N-pyrimidin-2-ylbenzamide
CID 62172631
2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide
CID 115736086
4-fluoro-5-(methylamino)-2-nitro-N-pyridin-2-ylbenzamide
CID 62171860
N-cyclopropyl-4-fluoro-5-(methylamino)-2-nitrobenzamide
CID 55042740
5-amino-4-fluoro-N-(2-methyl-4-pyridinyl)-2-nitrobenzamide
CID 79233095
N-(3-fluoro-4-pyridinyl)-5-(methylamino)-2-nitrobenzamide
CID 107595456
2-fluoro-5-nitro-N-pyridin-4-ylbenzamide
CID 43377474
4-fluoro-5-(methylamino)-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 62170865
2-nitro-N-pyridin-4-ylbenzamide
CID 766646
N-(4-aminophenyl)-4,5-difluoro-2-nitrobenzamide
CID 63214695
2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide
CID 103730811

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(methylamino)-2-nitro-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-fluoro-5-(methylamino)-2-nitro-N-pyridin-4-ylbenzamide (CID 62165049) is 4-fluoro-5-(methylamino)-2-nitro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-fluoro-5-(methylamino)-2-nitro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-fluoro-5-(methylamino)-2-nitro-N-pyridin-4-ylbenzamide is CNc1cc(C(=O)Nc2ccncc2)c([N+](=O)[O-])cc1F.
What is the InChIKey of 4-fluoro-5-(methylamino)-2-nitro-N-pyridin-4-ylbenzamide?
The InChIKey is XVTVADBMEXHLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O3/c1-15-11-6-9(12(18(20)21)7-10(11)14)13(19)17-8-2-4-16-5-3-8/h2-7,15H,1H3,(H,16,17,19).
What are the key properties of 4-fluoro-5-(methylamino)-2-nitro-N-pyridin-4-ylbenzamide?
4-fluoro-5-(methylamino)-2-nitro-N-pyridin-4-ylbenzamide has a molecular weight of 290.25 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(methylamino)-2-nitro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 62165049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).