2-bromo-N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]benzamide

C14H11BrF2N2O2S — CID 9016448

IUPAC2-bromo-N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(CSC(F)F)o1)c1ccccc1Br
InChIInChI=1S/C14H11BrF2N2O2S/c15-12-4-2-1-3-11(12)13(20)19-18-7-9-5-6-10(21-9)8-22-14(16)17/h1-7,14H,8H2,(H,19,20)/b18-7-
InChIKeyPMFZKSAKMHGPOF-WSVATBPTSA-N
MW389.22 g/mol
LogP4.26
Rot. Bonds6

About 2-bromo-N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]benzamide

2-bromo-N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]benzamide (PubChem CID 9016448) has the molecular formula C14H11BrF2N2O2S and a molecular weight of 389.22 g/mol. Its IUPAC name is 2-bromo-N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]benzamide
PubChem CID9016448
Molecular FormulaC14H11BrF2N2O2S
Molecular Weight389.22 g/mol
Exact Mass387.97
IUPAC Name2-bromo-N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(CSC(F)F)o1)c1ccccc1Br
InChIInChI=1S/C14H11BrF2N2O2S/c15-12-4-2-1-3-11(12)13(20)19-18-7-9-5-6-10(21-9)8-22-14(16)17/h1-7,14H,8H2,(H,19,20)/b18-7-
InChIKeyPMFZKSAKMHGPOF-WSVATBPTSA-N
XLogP4.26
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.22
LogP ≤ 54.26
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

2-bromo-N-[(E)-(5-ethylfuran-2-yl)methylideneamino]benzamide
CID 17245391
1-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-3-phenylurea
CID 9242399
N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883901
2-bromo-N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]benzamide
CID 41300906
2-bromo-N-[(Z)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]benzamide
CID 41339727
2-bromo-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide
CID 17047939
methyl 3-[5-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 17245292
2-amino-N-[(5-iodofuran-2-yl)methylideneamino]benzamide
CID 1355503
2-bromo-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 17245307
2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 4148800
2-fluoro-N-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 757986
2-fluoro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6907963

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]benzamide (CID 9016448) is 2-bromo-N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]benzamide is O=C(N/N=C\c1ccc(CSC(F)F)o1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]benzamide?
The InChIKey is PMFZKSAKMHGPOF-WSVATBPTSA-N. The full InChI is InChI=1S/C14H11BrF2N2O2S/c15-12-4-2-1-3-11(12)13(20)19-18-7-9-5-6-10(21-9)8-22-14(16)17/h1-7,14H,8H2,(H,19,20)/b18-7-.
What are the key properties of 2-bromo-N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]benzamide?
2-bromo-N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]benzamide has a molecular weight of 389.22 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(Z)-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 9016448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).