5-fluoro-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)benzamide

C14H12FN3O3 — CID 60876600

IUPAC5-fluoro-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(Cc1cccnc1)C(=O)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H12FN3O3/c1-17(9-10-3-2-6-16-8-10)14(19)12-7-11(15)4-5-13(12)18(20)21/h2-8H,9H2,1H3
InChIKeyDQEYWEGCDXNRFC-UHFFFAOYSA-N
MW289.27 g/mol
LogP2.40
Rot. Bonds4

About 5-fluoro-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)benzamide

5-fluoro-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 60876600) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 5-fluoro-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-fluoro-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)benzamide
PubChem CID60876600
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name5-fluoro-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)benzamide
SMILESCN(Cc1cccnc1)C(=O)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H12FN3O3/c1-17(9-10-3-2-6-16-8-10)14(19)12-7-11(15)4-5-13(12)18(20)21/h2-8H,9H2,1H3
InChIKeyDQEYWEGCDXNRFC-UHFFFAOYSA-N
XLogP2.40
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
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

N-methyl-5-methylsulfanyl-2-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 86911962
2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 63109669
5-fluoro-2-nitro-N-(2-pyridin-3-ylethyl)benzamide
CID 60913756
3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 113240917
2-(2-fluorophenyl)sulfanyl-N-methyl-5-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 78832215
4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43401146
4-cyano-N-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 115115732
2-(3-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724716
2-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 47097163
2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62243618
N-[(5-fluoro-2-nitrophenyl)methyl]-1-pyridin-3-ylmethanamine
CID 43443599
3-fluoro-N-methyl-N-[(2-nitrophenyl)methyl]pyridine-4-carboxamide
CID 115645822

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 5-fluoro-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)benzamide (CID 60876600) is 5-fluoro-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 5-fluoro-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 5-fluoro-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)benzamide is CN(Cc1cccnc1)C(=O)c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is DQEYWEGCDXNRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c1-17(9-10-3-2-6-16-8-10)14(19)12-7-11(15)4-5-13(12)18(20)21/h2-8H,9H2,1H3.
What are the key properties of 5-fluoro-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)benzamide?
5-fluoro-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 289.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-2-nitro-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 60876600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).