N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-nitrophenyl)acetamide

C17H16FN3O4 — CID 9439693

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-nitrophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H16FN3O4/c1-20(11-16(22)19-14-7-4-6-13(18)10-14)17(23)9-12-5-2-3-8-15(12)21(24)25/h2-8,10H,9,11H2,1H3,(H,19,22)
InChIKeyXCRPOWDHRMOFEO-UHFFFAOYSA-N
MW345.33 g/mol
LogP2.37
Rot. Bonds6

About N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-nitrophenyl)acetamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-nitrophenyl)acetamide (PubChem CID 9439693) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-nitrophenyl)acetamide
PubChem CID9439693
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-nitrophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H16FN3O4/c1-20(11-16(22)19-14-7-4-6-13(18)10-14)17(23)9-12-5-2-3-8-15(12)21(24)25/h2-8,10H,9,11H2,1H3,(H,19,22)
InChIKeyXCRPOWDHRMOFEO-UHFFFAOYSA-N
XLogP2.37
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.37
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-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 9344187
N-(3-fluorophenyl)-2-[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]acetamide
CID 9250777
4-ethoxy-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-nitrobenzamide
CID 9392082
N-[2-(3-fluoroanilino)-2-oxoethyl]-4-methoxy-N-methyl-3-nitrobenzamide
CID 7719448
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxopentanamide
CID 9439621
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 17393016
2-(2-chloro-6-fluorophenyl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 7719443
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 8621105
3-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbutanamide
CID 119683514
N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 9250556
N-(3-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 1318812
N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-(2-nitrophenyl)acetamide
CID 52702165

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-nitrophenyl)acetamide (CID 9439693) is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-nitrophenyl)acetamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-nitrophenyl)acetamide?
The InChIKey is XCRPOWDHRMOFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4/c1-20(11-16(22)19-14-7-4-6-13(18)10-14)17(23)9-12-5-2-3-8-15(12)21(24)25/h2-8,10H,9,11H2,1H3,(H,19,22).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-nitrophenyl)acetamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-nitrophenyl)acetamide has a molecular weight of 345.33 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 9439693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).