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

C16H16Cl2FN3 — CID 146291586

IUPAC(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanamine
SMILESNC/C(F)=C1\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21
InChIInChI=1S/C16H16Cl2FN3/c17-12-5-4-11(14(18)6-12)9-22-16-10(8-21-22)2-1-3-13(16)15(19)7-20/h4-6,8H,1-3,7,9,20H2/b15-13-
InChIKeyWMYKFZXUGZNFDL-SQFISAMPSA-N
MW340.23 g/mol
LogP4.21
Rot. Bonds3

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

(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanamine (PubChem CID 146291586) has the molecular formula C16H16Cl2FN3 and a molecular weight of 340.23 g/mol. Its IUPAC name is (2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanamine.

Molecular Properties

Compound Name(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanamine
PubChem CID146291586
Molecular FormulaC16H16Cl2FN3
Molecular Weight340.23 g/mol
Exact Mass339.07
IUPAC Name(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanamine
SMILESNC/C(F)=C1\CCCc2cnn(Cc3ccc(Cl)cc3Cl)c21
InChIInChI=1S/C16H16Cl2FN3/c17-12-5-4-11(14(18)6-12)9-22-16-10(8-21-22)2-1-3-13(16)15(19)7-20/h4-6,8H,1-3,7,9,20H2/b15-13-
InChIKeyWMYKFZXUGZNFDL-SQFISAMPSA-N
XLogP4.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3Z)-3-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-N-(4,5-dichlorothiophen-2-yl)sulfanyl-3-fluoropropanamide
CID 146293788
(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethanamine
CID 146291809
1-[(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]-3-(4,5-dichlorothiophen-2-yl)sulfonylurea
CID 146291544
(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-6-fluoro-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanol
CID 146291828
1-[2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]-3-(1,5-dimethylpyrazol-4-yl)sulfonylurea
CID 162461281
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-[(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]urea
CID 146291505
1-(1-benzofuran-2-ylsulfonyl)-3-[(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethyl]urea
CID 146291870
(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-N,N-dimethylethanamine
CID 146293880
2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethylcarbamic acid
CID 146291773
ethyl (2E)-2-[1-[(2,4-dichlorophenyl)methyl]-4,5-dihydrocyclopenta[d]pyrazol-6-ylidene]acetate
CID 153388169
[(2E)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]ethyl] N-(4-chlorophenyl)sulfonylcarbamate
CID 146293670
(3E)-N-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]propanamide
CID 146293836

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanamine?
The IUPAC name of (2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanamine (CID 146291586) is (2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanamine.
What is the SMILES notation for (2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanamine?
The canonical SMILES for (2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanamine is 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-fluoroethanamine?
The InChIKey is WMYKFZXUGZNFDL-SQFISAMPSA-N. The full InChI is InChI=1S/C16H16Cl2FN3/c17-12-5-4-11(14(18)6-12)9-22-16-10(8-21-22)2-1-3-13(16)15(19)7-20/h4-6,8H,1-3,7,9,20H2/b15-13-.
What are the key properties of (2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanamine?
(2Z)-2-[1-[(2,4-dichlorophenyl)methyl]-5,6-dihydro-4H-indazol-7-ylidene]-2-fluoroethanamine has a molecular weight of 340.23 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 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-fluoroethanamine is sourced from PubChem (CID 146291586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).