ethyl N-[[2-[(2-fluorophenyl)methoxy]-5-nitrophenyl]methylideneamino]carbamate

C17H16FN3O5 — CID 1420349

IUPACethyl N-[[2-[(2-fluorophenyl)methoxy]-5-nitrophenyl]methylideneamino]carbamate
SMILESCCOC(=O)NN=Cc1cc([N+](=O)[O-])ccc1OCc1ccccc1F
InChIInChI=1S/C17H16FN3O5/c1-2-25-17(22)20-19-10-13-9-14(21(23)24)7-8-16(13)26-11-12-5-3-4-6-15(12)18/h3-10H,2,11H2,1H3,(H,20,22)
InChIKeyXDZLBOCRMVPHSH-UHFFFAOYSA-N
MW361.33 g/mol
LogP3.39
Rot. Bonds7

About ethyl N-[[2-[(2-fluorophenyl)methoxy]-5-nitrophenyl]methylideneamino]carbamate

ethyl N-[[2-[(2-fluorophenyl)methoxy]-5-nitrophenyl]methylideneamino]carbamate (PubChem CID 1420349) has the molecular formula C17H16FN3O5 and a molecular weight of 361.33 g/mol. Its IUPAC name is ethyl N-[[2-[(2-fluorophenyl)methoxy]-5-nitrophenyl]methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[[2-[(2-fluorophenyl)methoxy]-5-nitrophenyl]methylideneamino]carbamate
PubChem CID1420349
Molecular FormulaC17H16FN3O5
Molecular Weight361.33 g/mol
Exact Mass361.11
IUPAC Nameethyl N-[[2-[(2-fluorophenyl)methoxy]-5-nitrophenyl]methylideneamino]carbamate
SMILESCCOC(=O)NN=Cc1cc([N+](=O)[O-])ccc1OCc1ccccc1F
InChIInChI=1S/C17H16FN3O5/c1-2-25-17(22)20-19-10-13-9-14(21(23)24)7-8-16(13)26-11-12-5-3-4-6-15(12)18/h3-10H,2,11H2,1H3,(H,20,22)
InChIKeyXDZLBOCRMVPHSH-UHFFFAOYSA-N
XLogP3.39
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[[2-[2-(2-methoxyphenoxy)ethoxy]-5-nitrophenyl]methylideneamino]carbamate
CID 3783954
2-[(2-fluorophenyl)methoxy]-5-nitrobenzamide
CID 91681710
[(Z)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 71670043
2-[2-[(Z)-(ethoxycarbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7612645
4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide
CID 5390798
ethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6899031
(1R,2R,6S,7R)-4-[[2-[(2-fluorophenyl)methoxy]-5-nitrophenyl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 126414269
N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 5457641
2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene
CID 43473008
3-ethoxy-N-[(E)-[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 126322808
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9316822
2-ethoxy-6-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 7308981

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[2-[(2-fluorophenyl)methoxy]-5-nitrophenyl]methylideneamino]carbamate?
The IUPAC name of ethyl N-[[2-[(2-fluorophenyl)methoxy]-5-nitrophenyl]methylideneamino]carbamate (CID 1420349) is ethyl N-[[2-[(2-fluorophenyl)methoxy]-5-nitrophenyl]methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[[2-[(2-fluorophenyl)methoxy]-5-nitrophenyl]methylideneamino]carbamate?
The canonical SMILES for ethyl N-[[2-[(2-fluorophenyl)methoxy]-5-nitrophenyl]methylideneamino]carbamate is CCOC(=O)NN=Cc1cc([N+](=O)[O-])ccc1OCc1ccccc1F.
What is the InChIKey of ethyl N-[[2-[(2-fluorophenyl)methoxy]-5-nitrophenyl]methylideneamino]carbamate?
The InChIKey is XDZLBOCRMVPHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O5/c1-2-25-17(22)20-19-10-13-9-14(21(23)24)7-8-16(13)26-11-12-5-3-4-6-15(12)18/h3-10H,2,11H2,1H3,(H,20,22).
What are the key properties of ethyl N-[[2-[(2-fluorophenyl)methoxy]-5-nitrophenyl]methylideneamino]carbamate?
ethyl N-[[2-[(2-fluorophenyl)methoxy]-5-nitrophenyl]methylideneamino]carbamate has a molecular weight of 361.33 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[2-[(2-fluorophenyl)methoxy]-5-nitrophenyl]methylideneamino]carbamate is sourced from PubChem (CID 1420349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).