2,5-difluoro-N-(1,5-naphthyridin-4-yl)-4-nitrobenzamide

C15H8F2N4O3 — CID 166230707

IUPAC2,5-difluoro-N-(1,5-naphthyridin-4-yl)-4-nitrobenzamide
SMILESO=C(Nc1ccnc2cccnc12)c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C15H8F2N4O3/c16-9-7-13(21(23)24)10(17)6-8(9)15(22)20-12-3-5-18-11-2-1-4-19-14(11)12/h1-7H,(H,18,20,22)
InChIKeySSSMLIWXIBIOBK-UHFFFAOYSA-N
MW330.25 g/mol
LogP3.07
Rot. Bonds3

About 2,5-difluoro-N-(1,5-naphthyridin-4-yl)-4-nitrobenzamide

2,5-difluoro-N-(1,5-naphthyridin-4-yl)-4-nitrobenzamide (PubChem CID 166230707) has the molecular formula C15H8F2N4O3 and a molecular weight of 330.25 g/mol. Its IUPAC name is 2,5-difluoro-N-(1,5-naphthyridin-4-yl)-4-nitrobenzamide.

Molecular Properties

Compound Name2,5-difluoro-N-(1,5-naphthyridin-4-yl)-4-nitrobenzamide
PubChem CID166230707
Molecular FormulaC15H8F2N4O3
Molecular Weight330.25 g/mol
Exact Mass330.06
IUPAC Name2,5-difluoro-N-(1,5-naphthyridin-4-yl)-4-nitrobenzamide
SMILESO=C(Nc1ccnc2cccnc12)c1cc(F)c([N+](=O)[O-])cc1F
InChIInChI=1S/C15H8F2N4O3/c16-9-7-13(21(23)24)10(17)6-8(9)15(22)20-12-3-5-18-11-2-1-4-19-14(11)12/h1-7H,(H,18,20,22)
InChIKeySSSMLIWXIBIOBK-UHFFFAOYSA-N
XLogP3.07
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
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

N-(2-bromo-3-pyridinyl)-2,5-difluoro-4-nitrobenzamide
CID 104705397
2,5-difluoro-4-nitro-N-pyridin-4-ylbenzamide
CID 115736086
2,5-difluoro-N-(4-hydroxyphenyl)-4-nitrobenzamide
CID 115751900
2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
CID 104699464
2,5-difluoro-4-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 115736037
2,5-difluoro-N-(4-fluorophenyl)-4-nitrobenzamide
CID 115736092
2,5-difluoro-N-(3-fluorophenyl)-4-nitrobenzamide
CID 115736115
N-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide
CID 103943536
N-(1,3-dimethylpyrazol-4-yl)-2,5-difluoro-4-nitrobenzamide
CID 104705201
N-(5-bromoquinolin-8-yl)-2-nitrobenzamide
CID 1332037
1-methyl-3-(2-methylpyrazol-3-yl)-N-(1,5-naphthyridin-4-yl)pyrazole-4-carboxamide
CID 167922529
4-fluoro-5-(methylamino)-2-nitro-N-pyridin-2-ylbenzamide
CID 62171860

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(1,5-naphthyridin-4-yl)-4-nitrobenzamide?
The IUPAC name of 2,5-difluoro-N-(1,5-naphthyridin-4-yl)-4-nitrobenzamide (CID 166230707) is 2,5-difluoro-N-(1,5-naphthyridin-4-yl)-4-nitrobenzamide.
What is the SMILES notation for 2,5-difluoro-N-(1,5-naphthyridin-4-yl)-4-nitrobenzamide?
The canonical SMILES for 2,5-difluoro-N-(1,5-naphthyridin-4-yl)-4-nitrobenzamide is O=C(Nc1ccnc2cccnc12)c1cc(F)c([N+](=O)[O-])cc1F.
What is the InChIKey of 2,5-difluoro-N-(1,5-naphthyridin-4-yl)-4-nitrobenzamide?
The InChIKey is SSSMLIWXIBIOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N4O3/c16-9-7-13(21(23)24)10(17)6-8(9)15(22)20-12-3-5-18-11-2-1-4-19-14(11)12/h1-7H,(H,18,20,22).
What are the key properties of 2,5-difluoro-N-(1,5-naphthyridin-4-yl)-4-nitrobenzamide?
2,5-difluoro-N-(1,5-naphthyridin-4-yl)-4-nitrobenzamide has a molecular weight of 330.25 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(1,5-naphthyridin-4-yl)-4-nitrobenzamide is sourced from PubChem (CID 166230707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).