N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide

C21H16FN5O6 — CID 126361155

IUPACN-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide
SMILESO=C(CNc1ccc(F)cc1)N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIInChI=1S/C21H16FN5O6/c22-15-3-5-16(6-4-15)23-13-21(28)25-24-12-14-1-8-18(9-2-14)33-20-10-7-17(26(29)30)11-19(20)27(31)32/h1-12,23H,13H2,(H,25,28)/b24-12-
InChIKeyLHEWFXVDLAGLBC-MSXFZWOLSA-N
MW453.39 g/mol
LogP4.00
Rot. Bonds9

About N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide

N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide (PubChem CID 126361155) has the molecular formula C21H16FN5O6 and a molecular weight of 453.39 g/mol. Its IUPAC name is N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide
PubChem CID126361155
Molecular FormulaC21H16FN5O6
Molecular Weight453.39 g/mol
Exact Mass453.11
IUPAC NameN-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide
SMILESO=C(CNc1ccc(F)cc1)N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
InChIInChI=1S/C21H16FN5O6/c22-15-3-5-16(6-4-15)23-13-21(28)25-24-12-14-1-8-18(9-2-14)33-20-10-7-17(26(29)30)11-19(20)27(31)32/h1-12,23H,13H2,(H,25,28)/b24-12-
InChIKeyLHEWFXVDLAGLBC-MSXFZWOLSA-N
XLogP4.00
TPSA149.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.39
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

2-(4-bromoanilino)-N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]acetamide
CID 126352231
N-[(Z)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-2-(4-methylanilino)acetamide
CID 41285235
2-(2,4-dimethylphenyl)-N-[(E)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]acetamide
CID 99944561
N-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-(2-methoxyanilino)acetamide
CID 27877625
2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 5392445
N-[(E)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126317827
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 5416855
N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126396318
2-anilino-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126380906
N-[(E)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126320693
2-[(5E)-5-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-fluorophenyl)acetamide
CID 126180385
N-[[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylideneamino]-2-(2-methylanilino)acetamide
CID 5131261

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide?
The IUPAC name of N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide (CID 126361155) is N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide.
What is the SMILES notation for N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide?
The canonical SMILES for N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide is O=C(CNc1ccc(F)cc1)N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1.
What is the InChIKey of N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide?
The InChIKey is LHEWFXVDLAGLBC-MSXFZWOLSA-N. The full InChI is InChI=1S/C21H16FN5O6/c22-15-3-5-16(6-4-15)23-13-21(28)25-24-12-14-1-8-18(9-2-14)33-20-10-7-17(26(29)30)11-19(20)27(31)32/h1-12,23H,13H2,(H,25,28)/b24-12-.
What are the key properties of N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide?
N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide has a molecular weight of 453.39 g/mol, XLogP of 4.00, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(2,4-dinitrophenoxy)phenyl]methylideneamino]-2-(4-fluoroanilino)acetamide is sourced from PubChem (CID 126361155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).