4-(6-chloroindazol-1-yl)-4-oxo-N-propylbutanamide

C14H16ClN3O2 — CID 22510166

IUPAC4-(6-chloroindazol-1-yl)-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)n1ncc2ccc(Cl)cc21
InChIInChI=1S/C14H16ClN3O2/c1-2-7-16-13(19)5-6-14(20)18-12-8-11(15)4-3-10(12)9-17-18/h3-4,8-9H,2,5-7H2,1H3,(H,16,19)
InChIKeyXRZUHUQNHDNSME-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.64
Rot. Bonds5

About 4-(6-chloroindazol-1-yl)-4-oxo-N-propylbutanamide

4-(6-chloroindazol-1-yl)-4-oxo-N-propylbutanamide (PubChem CID 22510166) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-(6-chloroindazol-1-yl)-4-oxo-N-propylbutanamide.

Molecular Properties

Compound Name4-(6-chloroindazol-1-yl)-4-oxo-N-propylbutanamide
PubChem CID22510166
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name4-(6-chloroindazol-1-yl)-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)n1ncc2ccc(Cl)cc21
InChIInChI=1S/C14H16ClN3O2/c1-2-7-16-13(19)5-6-14(20)18-12-8-11(15)4-3-10(12)9-17-18/h3-4,8-9H,2,5-7H2,1H3,(H,16,19)
InChIKeyXRZUHUQNHDNSME-UHFFFAOYSA-N
XLogP2.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-chloroindazol-1-yl)-N-[(4-ethoxyphenyl)methyl]-4-oxobutanamide
CID 22510195
N-[2-(4-chlorophenyl)ethyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide
CID 22510255
N-(2-methoxyethyl)-4-(5-methylindazol-1-yl)-4-oxobutanamide
CID 22510152
4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-propylbutanamide
CID 55363276
2-(2-amino-5-chlorobenzimidazol-1-yl)-N-propylacetamide
CID 43659596
2-(6-chlorobenzotriazol-1-yl)oxy-N-propylacetamide
CID 7696914
3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide
CID 61065277
3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
CID 79525880
3-(3,4-dichloroanilino)-N-propylpropanamide
CID 109011460
2-(6-chloroindazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 126459256
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-propylacetamide
CID 17422877
N-butyl-3-(4-chloropyrazol-1-yl)propanamide
CID 19539689

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloroindazol-1-yl)-4-oxo-N-propylbutanamide?
The IUPAC name of 4-(6-chloroindazol-1-yl)-4-oxo-N-propylbutanamide (CID 22510166) is 4-(6-chloroindazol-1-yl)-4-oxo-N-propylbutanamide.
What is the SMILES notation for 4-(6-chloroindazol-1-yl)-4-oxo-N-propylbutanamide?
The canonical SMILES for 4-(6-chloroindazol-1-yl)-4-oxo-N-propylbutanamide is CCCNC(=O)CCC(=O)n1ncc2ccc(Cl)cc21.
What is the InChIKey of 4-(6-chloroindazol-1-yl)-4-oxo-N-propylbutanamide?
The InChIKey is XRZUHUQNHDNSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-2-7-16-13(19)5-6-14(20)18-12-8-11(15)4-3-10(12)9-17-18/h3-4,8-9H,2,5-7H2,1H3,(H,16,19).
What are the key properties of 4-(6-chloroindazol-1-yl)-4-oxo-N-propylbutanamide?
4-(6-chloroindazol-1-yl)-4-oxo-N-propylbutanamide has a molecular weight of 293.75 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloroindazol-1-yl)-4-oxo-N-propylbutanamide is sourced from PubChem (CID 22510166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).