N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide

C16H16FN3O3 — CID 9250556

IUPACN-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16FN3O3/c1-19(10-12-5-7-15(8-6-12)20(22)23)11-16(21)18-14-4-2-3-13(17)9-14/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyGKINTEIOMSKNTE-UHFFFAOYSA-N
MW317.32 g/mol
LogP2.80
Rot. Bonds6

About N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide

N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide (PubChem CID 9250556) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
PubChem CID9250556
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC NameN-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H16FN3O3/c1-19(10-12-5-7-15(8-6-12)20(22)23)11-16(21)18-14-4-2-3-13(17)9-14/h2-9H,10-11H2,1H3,(H,18,21)
InChIKeyGKINTEIOMSKNTE-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-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8761647
2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide
CID 34020532
N-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]acetamide
CID 9250777
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 9252111
N-(3-bromophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658798
N-(2-bromophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 9252615
N-[4-(cyanomethyl)phenyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9041614
N-(3-fluorophenyl)-2-[methyl-[2-(3-methylanilino)-2-oxoethyl]amino]acetamide
CID 2658590

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide (CID 9250556) is N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide is CN(CC(=O)Nc1cccc(F)c1)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide?
The InChIKey is GKINTEIOMSKNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-19(10-12-5-7-15(8-6-12)20(22)23)11-16(21)18-14-4-2-3-13(17)9-14/h2-9H,10-11H2,1H3,(H,18,21).
What are the key properties of N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide?
N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]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 N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide is sourced from PubChem (CID 9250556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).