2-(2-nitrophenyl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide

C20H14F3N3O4 — CID 124551697

IUPAC2-(2-nitrophenyl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H14F3N3O4/c21-20(22,23)15-6-3-5-14(10-15)18-9-8-16(30-18)12-24-25-19(27)11-13-4-1-2-7-17(13)26(28)29/h1-10,12H,11H2,(H,25,27)/b24-12+
InChIKeyHRHHLUBJHRXJID-WYMPLXKRSA-N
MW417.34 g/mol
LogP4.57
Rot. Bonds6

About 2-(2-nitrophenyl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide

2-(2-nitrophenyl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide (PubChem CID 124551697) has the molecular formula C20H14F3N3O4 and a molecular weight of 417.34 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
PubChem CID124551697
Molecular FormulaC20H14F3N3O4
Molecular Weight417.34 g/mol
Exact Mass417.09
IUPAC Name2-(2-nitrophenyl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H14F3N3O4/c21-20(22,23)15-6-3-5-14(10-15)18-9-8-16(30-18)12-24-25-19(27)11-13-4-1-2-7-17(13)26(28)29/h1-10,12H,11H2,(H,25,27)/b24-12+
InChIKeyHRHHLUBJHRXJID-WYMPLXKRSA-N
XLogP4.57
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-nitro-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]benzamide
CID 6882593
2-(2-nitrophenyl)-N-[(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 3615840
2-(2-methylanilino)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 56692958
2-(2-phenylphenoxy)-N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 50929981
2-(2-chlorophenoxy)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 6894973
N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]pyridine-2-carboxamide
CID 1421236
ethyl N-[(Z)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]carbamate
CID 6265172
2-(3,5-dimethylphenoxy)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 3803472
3-[5-[[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3939353
2-(4-bromonaphthalen-1-yl)-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 3520761
2-(2-nitrophenyl)-N-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]acetamide
CID 3944359
2-(2,4,6-tribromophenoxy)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 4030641

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide (CID 124551697) is 2-(2-nitrophenyl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide is O=C(Cc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of 2-(2-nitrophenyl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide?
The InChIKey is HRHHLUBJHRXJID-WYMPLXKRSA-N. The full InChI is InChI=1S/C20H14F3N3O4/c21-20(22,23)15-6-3-5-14(10-15)18-9-8-16(30-18)12-24-25-19(27)11-13-4-1-2-7-17(13)26(28)29/h1-10,12H,11H2,(H,25,27)/b24-12+.
What are the key properties of 2-(2-nitrophenyl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide?
2-(2-nitrophenyl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide has a molecular weight of 417.34 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 124551697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).