N-[6-chloro-5-(4-methylphenyl)-1H-indazol-3-yl]butanamide

C18H18ClN3O — CID 22319511

IUPACN-[6-chloro-5-(4-methylphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc(C)cc3)cc12
InChIInChI=1S/C18H18ClN3O/c1-3-4-17(23)20-18-14-9-13(12-7-5-11(2)6-8-12)15(19)10-16(14)21-22-18/h5-10H,3-4H2,1-2H3,(H2,20,21,22,23)
InChIKeyREESNWQQNIKZJK-UHFFFAOYSA-N
MW327.82 g/mol
LogP4.93
Rot. Bonds4

About N-[6-chloro-5-(4-methylphenyl)-1H-indazol-3-yl]butanamide

N-[6-chloro-5-(4-methylphenyl)-1H-indazol-3-yl]butanamide (PubChem CID 22319511) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is N-[6-chloro-5-(4-methylphenyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-chloro-5-(4-methylphenyl)-1H-indazol-3-yl]butanamide
PubChem CID22319511
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC NameN-[6-chloro-5-(4-methylphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc(C)cc3)cc12
InChIInChI=1S/C18H18ClN3O/c1-3-4-17(23)20-18-14-9-13(12-7-5-11(2)6-8-12)15(19)10-16(14)21-22-18/h5-10H,3-4H2,1-2H3,(H2,20,21,22,23)
InChIKeyREESNWQQNIKZJK-UHFFFAOYSA-N
XLogP4.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-5-(4-methylphenyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[6-chloro-5-(4-methylphenyl)-1H-indazol-3-yl]butanamide (CID 22319511) is N-[6-chloro-5-(4-methylphenyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-chloro-5-(4-methylphenyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[6-chloro-5-(4-methylphenyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(Cl)c(-c3ccc(C)cc3)cc12.
What is the InChIKey of N-[6-chloro-5-(4-methylphenyl)-1H-indazol-3-yl]butanamide?
The InChIKey is REESNWQQNIKZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-3-4-17(23)20-18-14-9-13(12-7-5-11(2)6-8-12)15(19)10-16(14)21-22-18/h5-10H,3-4H2,1-2H3,(H2,20,21,22,23).
What are the key properties of N-[6-chloro-5-(4-methylphenyl)-1H-indazol-3-yl]butanamide?
N-[6-chloro-5-(4-methylphenyl)-1H-indazol-3-yl]butanamide has a molecular weight of 327.82 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-5-(4-methylphenyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 22319511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).