N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide

C18H11BrCl2N2O2S — CID 3760972

IUPACN-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide
SMILESO=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc(Cl)c1
InChIInChI=1S/C18H11BrCl2N2O2S/c19-16-9-14(25-18(16)26-15-6-4-12(20)5-7-15)10-22-23-17(24)11-2-1-3-13(21)8-11/h1-10H,(H,23,24)
InChIKeyGPHDCCNKVBZQPX-UHFFFAOYSA-N
MW470.18 g/mol
LogP6.26
Rot. Bonds5

About N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide

N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide (PubChem CID 3760972) has the molecular formula C18H11BrCl2N2O2S and a molecular weight of 470.18 g/mol. Its IUPAC name is N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide
PubChem CID3760972
Molecular FormulaC18H11BrCl2N2O2S
Molecular Weight470.18 g/mol
Exact Mass467.91
IUPAC NameN-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide
SMILESO=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc(Cl)c1
InChIInChI=1S/C18H11BrCl2N2O2S/c19-16-9-14(25-18(16)26-15-6-4-12(20)5-7-15)10-22-23-17(24)11-2-1-3-13(21)8-11/h1-10H,(H,23,24)
InChIKeyGPHDCCNKVBZQPX-UHFFFAOYSA-N
XLogP6.26
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.18
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]pyridine-2-carboxamide
CID 4669124
3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 3797622
N-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]-3-fluorobenzamide
CID 126006002
N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3934800
N-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]pyridine-3-carboxamide
CID 126003143
N-[(Z)-(4-bromo-5-phenylsulfanylfuran-2-yl)methylideneamino]-4-methoxybenzamide
CID 126009551
N-[(Z)-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-bromophenoxy)acetamide
CID 124534060
N-[[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]acetamide
CID 1279253
3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5404639
2-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]phenol
CID 1282021
3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide
CID 4675138
3-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 721907

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide?
The IUPAC name of N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide (CID 3760972) is N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide.
What is the SMILES notation for N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide?
The canonical SMILES for N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide is O=C(NN=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc(Cl)c1.
What is the InChIKey of N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide?
The InChIKey is GPHDCCNKVBZQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrCl2N2O2S/c19-16-9-14(25-18(16)26-15-6-4-12(20)5-7-15)10-22-23-17(24)11-2-1-3-13(21)8-11/h1-10H,(H,23,24).
What are the key properties of N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide?
N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide has a molecular weight of 470.18 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-chlorobenzamide is sourced from PubChem (CID 3760972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).