2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide

C24H26ClN3O — CID 20877446

IUPAC2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCC(C(=O)NCCC1=CCCCC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C24H26ClN3O/c1-17(24(29)26-15-14-18-8-4-2-5-9-18)28-22-13-12-20(25)16-21(22)23(27-28)19-10-6-3-7-11-19/h3,6-8,10-13,16-17H,2,4-5,9,14-15H2,1H3,(H,26,29)
InChIKeyRDRBJLPGHVUJSN-UHFFFAOYSA-N
MW407.95 g/mol
LogP5.92
Rot. Bonds6

About 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide

2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (PubChem CID 20877446) has the molecular formula C24H26ClN3O and a molecular weight of 407.95 g/mol. Its IUPAC name is 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
PubChem CID20877446
Molecular FormulaC24H26ClN3O
Molecular Weight407.95 g/mol
Exact Mass407.18
IUPAC Name2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESCC(C(=O)NCCC1=CCCCC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C24H26ClN3O/c1-17(24(29)26-15-14-18-8-4-2-5-9-18)28-22-13-12-20(25)16-21(22)23(27-28)19-10-6-3-7-11-19/h3,6-8,10-13,16-17H,2,4-5,9,14-15H2,1H3,(H,26,29)
InChIKeyRDRBJLPGHVUJSN-UHFFFAOYSA-N
XLogP5.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.95
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-3-phenylindazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
CID 20877405
1-acetyl-5-chloro-N-[2-(cyclohexen-1-yl)ethyl]indole-3-carboxamide
CID 113212529
2-(5-chloro-3-phenylindazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 20877476
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 32753435
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-3-methylindole-2-carboxamide
CID 110497737
(2R)-2-(2-chloro-4-phenylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7653002
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
2-(4-chlorophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]quinoline-4-carboxamide
CID 4182268
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide
CID 4951754
2-(3-phenylindazol-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 20877636
(2R)-2-(4-benzoylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 8596856

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The IUPAC name of 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (CID 20877446) is 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is CC(C(=O)NCCC1=CCCCC1)n1nc(-c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The InChIKey is RDRBJLPGHVUJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O/c1-17(24(29)26-15-14-18-8-4-2-5-9-18)28-22-13-12-20(25)16-21(22)23(27-28)19-10-6-3-7-11-19/h3,6-8,10-13,16-17H,2,4-5,9,14-15H2,1H3,(H,26,29).
What are the key properties of 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide has a molecular weight of 407.95 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is sourced from PubChem (CID 20877446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).