[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(2-nitrophenyl)acetate

C19H19FN2O5 — CID 55398796

IUPAC[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(2-nitrophenyl)acetate
SMILESCCN(Cc1cccc(F)c1)C(=O)COC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H19FN2O5/c1-2-21(12-14-6-5-8-16(20)10-14)18(23)13-27-19(24)11-15-7-3-4-9-17(15)22(25)26/h3-10H,2,11-13H2,1H3
InChIKeyRKKZEMYZHGHMOX-UHFFFAOYSA-N
MW374.37 g/mol
LogP2.87
Rot. Bonds8

About [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(2-nitrophenyl)acetate

[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(2-nitrophenyl)acetate (PubChem CID 55398796) has the molecular formula C19H19FN2O5 and a molecular weight of 374.37 g/mol. Its IUPAC name is [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(2-nitrophenyl)acetate.

Molecular Properties

Compound Name[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(2-nitrophenyl)acetate
PubChem CID55398796
Molecular FormulaC19H19FN2O5
Molecular Weight374.37 g/mol
Exact Mass374.13
IUPAC Name[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(2-nitrophenyl)acetate
SMILESCCN(Cc1cccc(F)c1)C(=O)COC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H19FN2O5/c1-2-21(12-14-6-5-8-16(20)10-14)18(23)13-27-19(24)11-15-7-3-4-9-17(15)22(25)26/h3-10H,2,11-13H2,1H3
InChIKeyRKKZEMYZHGHMOX-UHFFFAOYSA-N
XLogP2.87
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 5-methylsulfanyl-2-nitrobenzoate
CID 38547962
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55404129
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 71822913
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 55401385
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 2534565
[2-(dicyclohexylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 55316063
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-acetamidobenzoate
CID 9491494
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 9078876
[2-(dibenzylamino)-2-oxoethyl] 2-methyl-3-nitrobenzoate
CID 7382347
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate
CID 51135167
[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8590041

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(2-nitrophenyl)acetate?
The IUPAC name of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(2-nitrophenyl)acetate (CID 55398796) is [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(2-nitrophenyl)acetate.
What is the SMILES notation for [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(2-nitrophenyl)acetate?
The canonical SMILES for [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(2-nitrophenyl)acetate is CCN(Cc1cccc(F)c1)C(=O)COC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(2-nitrophenyl)acetate?
The InChIKey is RKKZEMYZHGHMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O5/c1-2-21(12-14-6-5-8-16(20)10-14)18(23)13-27-19(24)11-15-7-3-4-9-17(15)22(25)26/h3-10H,2,11-13H2,1H3.
What are the key properties of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(2-nitrophenyl)acetate?
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(2-nitrophenyl)acetate has a molecular weight of 374.37 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(2-nitrophenyl)acetate is sourced from PubChem (CID 55398796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).