N-[6-(2-chlorophenyl)-1H-indazol-3-yl]butanamide

C17H16ClN3O — CID 10380885

IUPACN-[6-(2-chlorophenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccccc3Cl)ccc12
InChIInChI=1S/C17H16ClN3O/c1-2-5-16(22)19-17-13-9-8-11(10-15(13)20-21-17)12-6-3-4-7-14(12)18/h3-4,6-10H,2,5H2,1H3,(H2,19,20,21,22)
InChIKeyWPJGFQOEGTUKTE-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.62
Rot. Bonds4

About N-[6-(2-chlorophenyl)-1H-indazol-3-yl]butanamide

N-[6-(2-chlorophenyl)-1H-indazol-3-yl]butanamide (PubChem CID 10380885) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is N-[6-(2-chlorophenyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(2-chlorophenyl)-1H-indazol-3-yl]butanamide
PubChem CID10380885
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC NameN-[6-(2-chlorophenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccccc3Cl)ccc12
InChIInChI=1S/C17H16ClN3O/c1-2-5-16(22)19-17-13-9-8-11(10-15(13)20-21-17)12-6-3-4-7-14(12)18/h3-4,6-10H,2,5H2,1H3,(H2,19,20,21,22)
InChIKeyWPJGFQOEGTUKTE-UHFFFAOYSA-N
XLogP4.62
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-phenyl-1H-indazol-3-yl)butanamide
CID 6539551
N-(6-phenyl-1H-indazol-3-yl)cyclopropanecarboxamide
CID 6539593
N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539603
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539606
N-(6-phenyl-1H-indazol-3-yl)butyramide
CID 10085013
N-(6-(4-aminophenyl)-1H-indazol-3-yl)butyramide
CID 10085818
N-[6-(trifluoromethyl)-1H-indazol-3-yl]butanamide
CID 10265187
N-(6-chloro-1H-indazol-3-yl)butyramide
CID 10421683
N-(6-chloro-5-p-tolyl-1H-indazol-3-yl)butyramide
CID 22319511
N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide
CID 22319604
Sgc aak1 1
CID 134812845
N-[6-(3-methanesulfonamidophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539599

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-chlorophenyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-(2-chlorophenyl)-1H-indazol-3-yl]butanamide (CID 10380885) is N-[6-(2-chlorophenyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-(2-chlorophenyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-(2-chlorophenyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3ccccc3Cl)ccc12.
What is the InChIKey of N-[6-(2-chlorophenyl)-1H-indazol-3-yl]butanamide?
The InChIKey is WPJGFQOEGTUKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-2-5-16(22)19-17-13-9-8-11(10-15(13)20-21-17)12-6-3-4-7-14(12)18/h3-4,6-10H,2,5H2,1H3,(H2,19,20,21,22).
What are the key properties of N-[6-(2-chlorophenyl)-1H-indazol-3-yl]butanamide?
N-[6-(2-chlorophenyl)-1H-indazol-3-yl]butanamide has a molecular weight of 313.79 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-chlorophenyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 10380885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).