4-(5-chloro-3-phenylindazol-1-yl)-N-cycloheptylbutanamide

C24H28ClN3O — CID 20877509

IUPAC4-(5-chloro-3-phenylindazol-1-yl)-N-cycloheptylbutanamide
SMILESO=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)NC1CCCCCC1
InChIInChI=1S/C24H28ClN3O/c25-19-14-15-22-21(17-19)24(18-9-4-3-5-10-18)27-28(22)16-8-13-23(29)26-20-11-6-1-2-7-12-20/h3-5,9-10,14-15,17,20H,1-2,6-8,11-13,16H2,(H,26,29)
InChIKeyHRJKJKDUGQYGPD-UHFFFAOYSA-N
MW409.96 g/mol
LogP5.98
Rot. Bonds6

About 4-(5-chloro-3-phenylindazol-1-yl)-N-cycloheptylbutanamide

4-(5-chloro-3-phenylindazol-1-yl)-N-cycloheptylbutanamide (PubChem CID 20877509) has the molecular formula C24H28ClN3O and a molecular weight of 409.96 g/mol. Its IUPAC name is 4-(5-chloro-3-phenylindazol-1-yl)-N-cycloheptylbutanamide.

Molecular Properties

Compound Name4-(5-chloro-3-phenylindazol-1-yl)-N-cycloheptylbutanamide
PubChem CID20877509
Molecular FormulaC24H28ClN3O
Molecular Weight409.96 g/mol
Exact Mass409.19
IUPAC Name4-(5-chloro-3-phenylindazol-1-yl)-N-cycloheptylbutanamide
SMILESO=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)NC1CCCCCC1
InChIInChI=1S/C24H28ClN3O/c25-19-14-15-22-21(17-19)24(18-9-4-3-5-10-18)27-28(22)16-8-13-23(29)26-20-11-6-1-2-7-12-20/h3-5,9-10,14-15,17,20H,1-2,6-8,11-13,16H2,(H,26,29)
InChIKeyHRJKJKDUGQYGPD-UHFFFAOYSA-N
XLogP5.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.96
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[4-(5-chloro-3-phenylindazol-1-yl)butanoylamino]piperidine-1-carboxylate
CID 46259697
2-[4-(4-chlorophenyl)-5-phenyltriazol-2-yl]-N-cyclohexylacetamide
CID 69293752
2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine
CID 12819465
2-(5-chloro-3-phenylindazol-1-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 20877371
2-(5-chloro-3-phenylindazol-1-yl)-N-(3-methylbutyl)acetamide
CID 20877329
N-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide
CID 53033030
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide
CID 20877316
2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
CID 20877332
N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide
CID 20877585
4-(3-phenylindazol-1-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 20877648
N-(4-bromo-3-methylphenyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide
CID 20877339
4-[4-(4-chlorophenyl)pyrazol-1-yl]-N-cyclopentylbutanamide
CID 100829513

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-phenylindazol-1-yl)-N-cycloheptylbutanamide?
The IUPAC name of 4-(5-chloro-3-phenylindazol-1-yl)-N-cycloheptylbutanamide (CID 20877509) is 4-(5-chloro-3-phenylindazol-1-yl)-N-cycloheptylbutanamide.
What is the SMILES notation for 4-(5-chloro-3-phenylindazol-1-yl)-N-cycloheptylbutanamide?
The canonical SMILES for 4-(5-chloro-3-phenylindazol-1-yl)-N-cycloheptylbutanamide is O=C(CCCn1nc(-c2ccccc2)c2cc(Cl)ccc21)NC1CCCCCC1.
What is the InChIKey of 4-(5-chloro-3-phenylindazol-1-yl)-N-cycloheptylbutanamide?
The InChIKey is HRJKJKDUGQYGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O/c25-19-14-15-22-21(17-19)24(18-9-4-3-5-10-18)27-28(22)16-8-13-23(29)26-20-11-6-1-2-7-12-20/h3-5,9-10,14-15,17,20H,1-2,6-8,11-13,16H2,(H,26,29).
What are the key properties of 4-(5-chloro-3-phenylindazol-1-yl)-N-cycloheptylbutanamide?
4-(5-chloro-3-phenylindazol-1-yl)-N-cycloheptylbutanamide has a molecular weight of 409.96 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-phenylindazol-1-yl)-N-cycloheptylbutanamide is sourced from PubChem (CID 20877509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).