2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide

C16H16FN3O3 — CID 8961830

IUPAC2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(F)c1
InChIInChI=1S/C16H16FN3O3/c1-19(10-12-5-4-6-13(17)9-12)11-16(21)18-14-7-2-3-8-15(14)20(22)23/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyKOQHRQMJOHNFBX-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.80
Rot. Bonds6

About 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide

2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide (PubChem CID 8961830) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
PubChem CID8961830
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(F)c1
InChIInChI=1S/C16H16FN3O3/c1-19(10-12-5-4-6-13(17)9-12)11-16(21)18-14-7-2-3-8-15(14)20(22)23/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyKOQHRQMJOHNFBX-UHFFFAOYSA-N
XLogP2.80
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 52.80
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

2-[(3-fluorophenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8961793
N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251343
2-[methyl(thiophen-2-ylmethyl)amino]-N-(2-nitrophenyl)acetamide
CID 8965861
N-(2,3-dichlorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 2574151
2-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 52690735
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
N-(2-chlorophenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 25479489
N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 9250556
S-[2-(2-nitroanilino)-2-oxoethyl] N-(4-fluoro-2-methylphenyl)-N-methylcarbamothioate
CID 11545317
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 9136571
2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide
CID 34020532
N-cyclopropyl-2-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide
CID 9053004

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide (CID 8961830) is 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide is CN(CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide?
The InChIKey is KOQHRQMJOHNFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-19(10-12-5-4-6-13(17)9-12)11-16(21)18-14-7-2-3-8-15(14)20(22)23/h2-9H,10-11H2,1H3,(H,18,21).
What are the key properties of 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide?
2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide has a molecular weight of 317.32 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 8961830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).