2-fluoro-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide

C13H16FN3O4 — CID 61041053

IUPAC2-fluoro-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C13H16FN3O4/c1-3-6-15-12(18)8-16(2)13(19)10-7-9(17(20)21)4-5-11(10)14/h4-5,7H,3,6,8H2,1-2H3,(H,15,18)
InChIKeyQFUAZCNNRILRJX-UHFFFAOYSA-N
MW297.29 g/mol
LogP1.33
Rot. Bonds6

About 2-fluoro-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide

2-fluoro-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide (PubChem CID 61041053) has the molecular formula C13H16FN3O4 and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-fluoro-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
PubChem CID61041053
Molecular FormulaC13H16FN3O4
Molecular Weight297.29 g/mol
Exact Mass297.11
IUPAC Name2-fluoro-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C13H16FN3O4/c1-3-6-15-12(18)8-16(2)13(19)10-7-9(17(20)21)4-5-11(10)14/h4-5,7H,3,6,8H2,1-2H3,(H,15,18)
InChIKeyQFUAZCNNRILRJX-UHFFFAOYSA-N
XLogP1.33
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 51.33
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

methyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate
CID 43377543
N-methyl-4-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 7780191
3-[(2-fluoro-5-nitrobenzoyl)-methylamino]propanoic acid
CID 60989798
N-benzyl-2-fluoro-N-methyl-5-nitrobenzamide
CID 43377488
methyl 2-[(2-fluoro-5-nitrobenzoyl)-propylamino]acetate
CID 61050888
2-fluoro-N-methyl-5-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63207742
N-cyclopropyl-N-ethyl-2-fluoro-5-nitrobenzamide
CID 43377587
3-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide
CID 113240790
2-[(2-fluoro-5-nitrobenzoyl)-propan-2-ylamino]acetic acid
CID 60832066
2-(dimethylamino)-N-methyl-5-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 18086709
2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide
CID 43377388
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide (CID 61041053) is 2-fluoro-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide is CCCNC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-fluoro-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The InChIKey is QFUAZCNNRILRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O4/c1-3-6-15-12(18)8-16(2)13(19)10-7-9(17(20)21)4-5-11(10)14/h4-5,7H,3,6,8H2,1-2H3,(H,15,18).
What are the key properties of 2-fluoro-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide?
2-fluoro-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide has a molecular weight of 297.29 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 61041053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).