N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide

C19H14ClN3O4 — CID 6882170

IUPACN-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1
InChIInChI=1S/C19H14ClN3O4/c20-17-11-14(23(25)26)6-8-16(17)18-9-7-15(27-18)12-21-22-19(24)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,22,24)/b21-12+
InChIKeyRLALFRCVMDFTSD-CIAFOILYSA-N
MW383.79 g/mol
LogP4.20
Rot. Bonds6

About N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide

N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide (PubChem CID 6882170) has the molecular formula C19H14ClN3O4 and a molecular weight of 383.79 g/mol. Its IUPAC name is N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
PubChem CID6882170
Molecular FormulaC19H14ClN3O4
Molecular Weight383.79 g/mol
Exact Mass383.07
IUPAC NameN-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1
InChIInChI=1S/C19H14ClN3O4/c20-17-11-14(23(25)26)6-8-16(17)18-9-7-15(27-18)12-21-22-19(24)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,22,24)/b21-12+
InChIKeyRLALFRCVMDFTSD-CIAFOILYSA-N
XLogP4.20
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.79
LogP ≤ 54.20
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

N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 7368852
N-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-cyanoacetamide
CID 958818
1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea
CID 1379769
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 947493
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029572
(2R)-N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-(2-methylphenyl)-2-phenylpropanamide
CID 26984922
2-anilino-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 5443599
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 99654874
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 6009233
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 6077231
2-[(2Z)-2-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]ethanol
CID 7224716
N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(2,3,6-trimethylphenoxy)acetamide
CID 50929903

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide (CID 6882170) is N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1.
What is the InChIKey of N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide?
The InChIKey is RLALFRCVMDFTSD-CIAFOILYSA-N. The full InChI is InChI=1S/C19H14ClN3O4/c20-17-11-14(23(25)26)6-8-16(17)18-9-7-15(27-18)12-21-22-19(24)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,22,24)/b21-12+.
What are the key properties of N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide?
N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide has a molecular weight of 383.79 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 6882170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).