[(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]carbamic acid

C17H16Cl2FN3O2 — CID 146291567

IUPAC[(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]carbamic acid
SMILESO=C(O)NC/C(F)=C1\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21
InChIInChI=1S/C17H16Cl2FN3O2/c18-12-5-4-11(14(19)6-12)9-23-16-10(7-22-23)2-1-3-13(16)15(20)8-21-17(24)25/h4-7,21H,1-3,8-9H2,(H,24,25)/b15-13-
InChIKeyGXFPDBGKZBBSLZ-SQFISAMPSA-N
MW384.24 g/mol
LogP4.52
Rot. Bonds4

About [(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]carbamic acid

[(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]carbamic acid (PubChem CID 146291567) has the molecular formula C17H16Cl2FN3O2 and a molecular weight of 384.24 g/mol. Its IUPAC name is [(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]carbamic acid.

Molecular Properties

Compound Name[(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]carbamic acid
PubChem CID146291567
Molecular FormulaC17H16Cl2FN3O2
Molecular Weight384.24 g/mol
Exact Mass383.06
IUPAC Name[(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]carbamic acid
SMILESO=C(O)NC/C(F)=C1\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21
InChIInChI=1S/C17H16Cl2FN3O2/c18-12-5-4-11(14(19)6-12)9-23-16-10(7-22-23)2-1-3-13(16)15(20)8-21-17(24)25/h4-7,21H,1-3,8-9H2,(H,24,25)/b15-13-
InChIKeyGXFPDBGKZBBSLZ-SQFISAMPSA-N
XLogP4.52
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]carbamic acid?
The IUPAC name of [(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]carbamic acid (CID 146291567) is [(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]carbamic acid.
What is the SMILES notation for [(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]carbamic acid?
The canonical SMILES for [(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]carbamic acid is O=C(O)NC/C(F)=C1\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21.
What is the InChIKey of [(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]carbamic acid?
The InChIKey is GXFPDBGKZBBSLZ-SQFISAMPSA-N. The full InChI is InChI=1S/C17H16Cl2FN3O2/c18-12-5-4-11(14(19)6-12)9-23-16-10(7-22-23)2-1-3-13(16)15(20)8-21-17(24)25/h4-7,21H,1-3,8-9H2,(H,24,25)/b15-13-.
What are the key properties of [(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]carbamic acid?
[(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]carbamic acid has a molecular weight of 384.24 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]carbamic acid is sourced from PubChem (CID 146291567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).