6-chloro-N-[(4-chlorophenyl)methyl]-7-fluoro-5-phenyl-1H-indazol-3-amine

C20H14Cl2FN3 — CID 10091517

IUPAC6-chloro-N-[(4-chlorophenyl)methyl]-7-fluoro-5-phenyl-1H-indazol-3-amine
SMILESFc1c(Cl)c(-c2ccccc2)cc2c(NCc3ccc(Cl)cc3)n[nH]c12
InChIInChI=1S/C20H14Cl2FN3/c21-14-8-6-12(7-9-14)11-24-20-16-10-15(13-4-2-1-3-5-13)17(22)18(23)19(16)25-26-20/h1-10H,11H2,(H2,24,25,26)
InChIKeyMIMHJSACTBOBGH-UHFFFAOYSA-N
MW386.26 g/mol
LogP6.29
Rot. Bonds4

About 6-chloro-N-[(4-chlorophenyl)methyl]-7-fluoro-5-phenyl-1H-indazol-3-amine

6-chloro-N-[(4-chlorophenyl)methyl]-7-fluoro-5-phenyl-1H-indazol-3-amine (PubChem CID 10091517) has the molecular formula C20H14Cl2FN3 and a molecular weight of 386.26 g/mol. Its IUPAC name is 6-chloro-N-[(4-chlorophenyl)methyl]-7-fluoro-5-phenyl-1H-indazol-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-chlorophenyl)methyl]-7-fluoro-5-phenyl-1H-indazol-3-amine
PubChem CID10091517
Molecular FormulaC20H14Cl2FN3
Molecular Weight386.26 g/mol
Exact Mass385.05
IUPAC Name6-chloro-N-[(4-chlorophenyl)methyl]-7-fluoro-5-phenyl-1H-indazol-3-amine
SMILESFc1c(Cl)c(-c2ccccc2)cc2c(NCc3ccc(Cl)cc3)n[nH]c12
InChIInChI=1S/C20H14Cl2FN3/c21-14-8-6-12(7-9-14)11-24-20-16-10-15(13-4-2-1-3-5-13)17(22)18(23)19(16)25-26-20/h1-10H,11H2,(H2,24,25,26)
InChIKeyMIMHJSACTBOBGH-UHFFFAOYSA-N
XLogP6.29
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.26
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide
CID 22319604
N-butyl-6-chloro-5-phenyl-1H-indazol-3-amine
CID 9882765
1-benzyl-3-(6-chloro-5-phenyl-1H-indazol-3-yl)urea
CID 10068140
N-(6-chloro-5-phenyl-1H-indazol-3-yl)-N'-phenylurea
CID 10248119
1-(6-chloro-5-phenyl-1H-indazol-3-yl)-3-propan-2-ylurea
CID 21079218
(6-chloro-5-phenyl-1H-indazol-3-yl)urea
CID 21079223
N-(6-chloro-5-(4-fluorophenyl)-1H-indazol-3-yl)butyramide
CID 22319674
N-(3-chlorophenyl)-5-methyl-1H-indazol-3-amine
CID 24991696
N-(3-chlorophenyl)-5-fluoro-1H-indazol-3-amine
CID 25096271
N-(6-chloro-7-fluoro-5-phenyl-1H-indazol-3-yl)butyramide
CID 46881853
N-(3-chlorophenyl)-5-(trifluoromethyl)-1H-indazol-3-amine
CID 122187124
6-chloro-N-(3,4-difluorophenyl)-1H-indazol-3-amine
CID 137642738

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-chlorophenyl)methyl]-7-fluoro-5-phenyl-1H-indazol-3-amine?
The IUPAC name of 6-chloro-N-[(4-chlorophenyl)methyl]-7-fluoro-5-phenyl-1H-indazol-3-amine (CID 10091517) is 6-chloro-N-[(4-chlorophenyl)methyl]-7-fluoro-5-phenyl-1H-indazol-3-amine.
What is the SMILES notation for 6-chloro-N-[(4-chlorophenyl)methyl]-7-fluoro-5-phenyl-1H-indazol-3-amine?
The canonical SMILES for 6-chloro-N-[(4-chlorophenyl)methyl]-7-fluoro-5-phenyl-1H-indazol-3-amine is Fc1c(Cl)c(-c2ccccc2)cc2c(NCc3ccc(Cl)cc3)n[nH]c12.
What is the InChIKey of 6-chloro-N-[(4-chlorophenyl)methyl]-7-fluoro-5-phenyl-1H-indazol-3-amine?
The InChIKey is MIMHJSACTBOBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2FN3/c21-14-8-6-12(7-9-14)11-24-20-16-10-15(13-4-2-1-3-5-13)17(22)18(23)19(16)25-26-20/h1-10H,11H2,(H2,24,25,26).
What are the key properties of 6-chloro-N-[(4-chlorophenyl)methyl]-7-fluoro-5-phenyl-1H-indazol-3-amine?
6-chloro-N-[(4-chlorophenyl)methyl]-7-fluoro-5-phenyl-1H-indazol-3-amine has a molecular weight of 386.26 g/mol, XLogP of 6.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-chlorophenyl)methyl]-7-fluoro-5-phenyl-1H-indazol-3-amine is sourced from PubChem (CID 10091517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).