N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide

C19H15ClN2O2 — CID 947493

IUPACN-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN=Cc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H15ClN2O2/c20-17-9-5-4-8-16(17)18-11-10-15(24-18)13-21-22-19(23)12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,22,23)
InChIKeyOUUWIWBZIMTHDK-UHFFFAOYSA-N
MW338.79 g/mol
LogP4.29
Rot. Bonds5

About N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide

N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide (PubChem CID 947493) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
PubChem CID947493
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC NameN-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NN=Cc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H15ClN2O2/c20-17-9-5-4-8-16(17)18-11-10-15(24-18)13-21-22-19(23)12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,22,23)
InChIKeyOUUWIWBZIMTHDK-UHFFFAOYSA-N
XLogP4.29
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]urea
CID 5412189
N-[(E)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 6882170
methyl 4-chloro-3-[5-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 6876376
methyl N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]carbamate
CID 740775
N-[(Z)-[5-(3-chloro-4-methylphenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 5436996
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 45037872
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 1104273
N-[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 6871759
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 3886610
N-[(Z)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-4-hydroxybenzamide
CID 5409337
[(E)-[5-(2-chlorophenyl)furan-2-yl]methylideneamino]thiourea
CID 21235204
N-[(E)-[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]-2-naphthalen-1-ylacetamide
CID 6321807

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide (CID 947493) is N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)NN=Cc1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide?
The InChIKey is OUUWIWBZIMTHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c20-17-9-5-4-8-16(17)18-11-10-15(24-18)13-21-22-19(23)12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,22,23).
What are the key properties of N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide?
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide has a molecular weight of 338.79 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 947493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).