[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

C18H16FN3O7 — CID 3390113

IUPAC[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESCOc1ccc(NC(=O)COC(=O)CNC(=O)c2ccccc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C18H16FN3O7/c1-28-11-6-7-14(15(8-11)22(26)27)21-16(23)10-29-17(24)9-20-18(25)12-4-2-3-5-13(12)19/h2-8H,9-10H2,1H3,(H,20,25)(H,21,23)
InChIKeyRCQXTSOKXZYXPT-UHFFFAOYSA-N
MW405.34 g/mol
LogP1.65
Rot. Bonds8

About [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate

[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 3390113) has the molecular formula C18H16FN3O7 and a molecular weight of 405.34 g/mol. Its IUPAC name is [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID3390113
Molecular FormulaC18H16FN3O7
Molecular Weight405.34 g/mol
Exact Mass405.10
IUPAC Name[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
SMILESCOc1ccc(NC(=O)COC(=O)CNC(=O)c2ccccc2F)c([N+](=O)[O-])c1
InChIInChI=1S/C18H16FN3O7/c1-28-11-6-7-14(15(8-11)22(26)27)21-16(23)10-29-17(24)9-20-18(25)12-4-2-3-5-13(12)19/h2-8H,9-10H2,1H3,(H,20,25)(H,21,23)
InChIKeyRCQXTSOKXZYXPT-UHFFFAOYSA-N
XLogP1.65
TPSA136.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 42012447
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270616
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7798270
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 7729363
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 4802522
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671882
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 4801774
2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9103856
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 4-chlorobenzoate
CID 7484411
2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270550

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate (CID 3390113) is [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is COc1ccc(NC(=O)COC(=O)CNC(=O)c2ccccc2F)c([N+](=O)[O-])c1.
What is the InChIKey of [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is RCQXTSOKXZYXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O7/c1-28-11-6-7-14(15(8-11)22(26)27)21-16(23)10-29-17(24)9-20-18(25)12-4-2-3-5-13(12)19/h2-8H,9-10H2,1H3,(H,20,25)(H,21,23).
What are the key properties of [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate?
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 405.34 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 3390113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).