2-(3-chlorophenoxy)-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide

C19H14ClN3O5 — CID 3947681

IUPAC2-(3-chlorophenoxy)-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
SMILESO=C(COc1cccc(Cl)c1)NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C19H14ClN3O5/c20-13-4-3-5-14(10-13)27-12-19(24)22-21-11-15-8-9-18(28-15)16-6-1-2-7-17(16)23(25)26/h1-11H,12H2,(H,22,24)
InChIKeyGDNULMHLKZANGX-UHFFFAOYSA-N
MW399.79 g/mol
LogP4.04
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide

2-(3-chlorophenoxy)-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide (PubChem CID 3947681) has the molecular formula C19H14ClN3O5 and a molecular weight of 399.79 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
PubChem CID3947681
Molecular FormulaC19H14ClN3O5
Molecular Weight399.79 g/mol
Exact Mass399.06
IUPAC Name2-(3-chlorophenoxy)-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
SMILESO=C(COc1cccc(Cl)c1)NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C19H14ClN3O5/c20-13-4-3-5-14(10-13)27-12-19(24)22-21-11-15-8-9-18(28-15)16-6-1-2-7-17(16)23(25)26/h1-11H,12H2,(H,22,24)
InChIKeyGDNULMHLKZANGX-UHFFFAOYSA-N
XLogP4.04
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.79
LogP ≤ 54.04
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

2-(3-chlorophenoxy)-N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 71952295
2-(4-tert-butylphenoxy)-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 38094420
2-(3-chlorophenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 7039264
2-(3-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 5457650
2-(4-methyl-2-nitrophenoxy)-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 41300970
N-[(5-bromofuran-2-yl)methylideneamino]-2-(3-chlorophenoxy)acetamide
CID 1369815
2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 7039861
2-(4-chloro-2-nitrophenoxy)-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 95180889
2-(4-chlorophenoxy)-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 7035809
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-[(Z)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 126171343
2-(3-chlorophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 5084295
(2S)-N-[(Z)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]-2-[(2-phenoxyacetyl)amino]propanamide
CID 126166745

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide (CID 3947681) is 2-(3-chlorophenoxy)-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide is O=C(COc1cccc(Cl)c1)NN=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
The InChIKey is GDNULMHLKZANGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O5/c20-13-4-3-5-14(10-13)27-12-19(24)22-21-11-15-8-9-18(28-15)16-6-1-2-7-17(16)23(25)26/h1-11H,12H2,(H,22,24).
What are the key properties of 2-(3-chlorophenoxy)-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide?
2-(3-chlorophenoxy)-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide has a molecular weight of 399.79 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 3947681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).