N-(4-fluorophenyl)-3-(methylamino)-2-nitrobenzamide

C14H12FN3O3 — CID 115548321

IUPACN-(4-fluorophenyl)-3-(methylamino)-2-nitrobenzamide
SMILESCNc1cccc(C(=O)Nc2ccc(F)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H12FN3O3/c1-16-12-4-2-3-11(13(12)18(20)21)14(19)17-10-7-5-9(15)6-8-10/h2-8,16H,1H3,(H,17,19)
InChIKeyKVOMMJVKGFLZHH-UHFFFAOYSA-N
MW289.27 g/mol
LogP3.03
Rot. Bonds4

About N-(4-fluorophenyl)-3-(methylamino)-2-nitrobenzamide

N-(4-fluorophenyl)-3-(methylamino)-2-nitrobenzamide (PubChem CID 115548321) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(methylamino)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(methylamino)-2-nitrobenzamide
PubChem CID115548321
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC NameN-(4-fluorophenyl)-3-(methylamino)-2-nitrobenzamide
SMILESCNc1cccc(C(=O)Nc2ccc(F)cc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H12FN3O3/c1-16-12-4-2-3-11(13(12)18(20)21)14(19)17-10-7-5-9(15)6-8-10/h2-8,16H,1H3,(H,17,19)
InChIKeyKVOMMJVKGFLZHH-UHFFFAOYSA-N
XLogP3.03
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 53.03
H-Bond Donors ≤ 52
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-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549451
3-(methylamino)-2-nitro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116788082
3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide
CID 62648773
N-(1-ethylpyrazol-4-yl)-3-(methylamino)-2-nitrobenzamide
CID 115548532
3-(methylamino)-N-(2-methylpyrazol-3-yl)-2-nitrobenzamide
CID 115548768
N-(4-fluorophenyl)-5-(methylamino)-2-nitrobenzamide
CID 62167428
N-(3,4-difluorophenyl)-3-methyl-2-nitrobenzamide
CID 890522
3-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
CID 115548497
3-(methylamino)-N-(5-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 115548311
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(methylamino)-2-nitrobenzamide
CID 115548885
N-(4-hydroxyphenyl)-3-methyl-2-nitrobenzamide
CID 28739464
3-(methylamino)-2-nitro-N-pentylbenzamide
CID 115548093

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(methylamino)-2-nitrobenzamide?
The IUPAC name of N-(4-fluorophenyl)-3-(methylamino)-2-nitrobenzamide (CID 115548321) is N-(4-fluorophenyl)-3-(methylamino)-2-nitrobenzamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(methylamino)-2-nitrobenzamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(methylamino)-2-nitrobenzamide is CNc1cccc(C(=O)Nc2ccc(F)cc2)c1[N+](=O)[O-].
What is the InChIKey of N-(4-fluorophenyl)-3-(methylamino)-2-nitrobenzamide?
The InChIKey is KVOMMJVKGFLZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c1-16-12-4-2-3-11(13(12)18(20)21)14(19)17-10-7-5-9(15)6-8-10/h2-8,16H,1H3,(H,17,19).
What are the key properties of N-(4-fluorophenyl)-3-(methylamino)-2-nitrobenzamide?
N-(4-fluorophenyl)-3-(methylamino)-2-nitrobenzamide has a molecular weight of 289.27 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(methylamino)-2-nitrobenzamide is sourced from PubChem (CID 115548321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).