N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide

C20H15ClFN5O — CID 113047833

IUPACN-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2ccc(F)c(Cl)c2)nn1
InChIInChI=1S/C20H15ClFN5O/c21-15-10-13(5-6-16(15)22)24-18-7-8-19(27-26-18)25-20(28)9-12-11-23-17-4-2-1-3-14(12)17/h1-8,10-11,23H,9H2,(H,24,26)(H,25,27,28)
InChIKeyVOCCKDORLPRCNX-UHFFFAOYSA-N
MW395.83 g/mol
LogP4.68
Rot. Bonds5

About N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide

N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide (PubChem CID 113047833) has the molecular formula C20H15ClFN5O and a molecular weight of 395.83 g/mol. Its IUPAC name is N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
PubChem CID113047833
Molecular FormulaC20H15ClFN5O
Molecular Weight395.83 g/mol
Exact Mass395.09
IUPAC NameN-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2ccc(F)c(Cl)c2)nn1
InChIInChI=1S/C20H15ClFN5O/c21-15-10-13(5-6-16(15)22)24-18-7-8-19(27-26-18)25-20(28)9-12-11-23-17-4-2-1-3-14(12)17/h1-8,10-11,23H,9H2,(H,24,26)(H,25,27,28)
InChIKeyVOCCKDORLPRCNX-UHFFFAOYSA-N
XLogP4.68
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.83
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-chloroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 113047370
2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide
CID 113045828
1-(3-chloro-4-fluorophenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]thiourea
CID 8767861
N-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113018608
N-(3-chloro-4-fluorophenyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209314
N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 113046653
2-(1H-indol-3-yl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]acetamide
CID 113051735
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113047562
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113036437
6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126674
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 113098868
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113047929

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide (CID 113047833) is N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2ccc(F)c(Cl)c2)nn1.
What is the InChIKey of N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is VOCCKDORLPRCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5O/c21-15-10-13(5-6-16(15)22)24-18-7-8-19(27-26-18)25-20(28)9-12-11-23-17-4-2-1-3-14(12)17/h1-8,10-11,23H,9H2,(H,24,26)(H,25,27,28).
What are the key properties of N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide?
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 395.83 g/mol, XLogP of 4.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 113047833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).