N-[2-(cyclohexylmethylamino)ethyl]-2-[7-(3-fluorophenyl)indol-1-yl]acetamide

C25H30FN3O — CID 68710826

IUPACN-[2-(cyclohexylmethylamino)ethyl]-2-[7-(3-fluorophenyl)indol-1-yl]acetamide
SMILESO=C(Cn1ccc2cccc(-c3cccc(F)c3)c21)NCCNCC1CCCCC1
InChIInChI=1S/C25H30FN3O/c26-22-10-4-9-21(16-22)23-11-5-8-20-12-15-29(25(20)23)18-24(30)28-14-13-27-17-19-6-2-1-3-7-19/h4-5,8-12,15-16,19,27H,1-3,6-7,13-14,17-18H2,(H,28,30)
InChIKeyQVWIFUKUKFTZNY-UHFFFAOYSA-N
MW407.53 g/mol
LogP4.73
Rot. Bonds8

About N-[2-(cyclohexylmethylamino)ethyl]-2-[7-(3-fluorophenyl)indol-1-yl]acetamide

N-[2-(cyclohexylmethylamino)ethyl]-2-[7-(3-fluorophenyl)indol-1-yl]acetamide (PubChem CID 68710826) has the molecular formula C25H30FN3O and a molecular weight of 407.53 g/mol. Its IUPAC name is N-[2-(cyclohexylmethylamino)ethyl]-2-[7-(3-fluorophenyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylmethylamino)ethyl]-2-[7-(3-fluorophenyl)indol-1-yl]acetamide
PubChem CID68710826
Molecular FormulaC25H30FN3O
Molecular Weight407.53 g/mol
Exact Mass407.24
IUPAC NameN-[2-(cyclohexylmethylamino)ethyl]-2-[7-(3-fluorophenyl)indol-1-yl]acetamide
SMILESO=C(Cn1ccc2cccc(-c3cccc(F)c3)c21)NCCNCC1CCCCC1
InChIInChI=1S/C25H30FN3O/c26-22-10-4-9-21(16-22)23-11-5-8-20-12-15-29(25(20)23)18-24(30)28-14-13-27-17-19-6-2-1-3-7-19/h4-5,8-12,15-16,19,27H,1-3,6-7,13-14,17-18H2,(H,28,30)
InChIKeyQVWIFUKUKFTZNY-UHFFFAOYSA-N
XLogP4.73
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.53
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylmethylamino)ethyl]-2-[7-(3-fluorophenyl)indol-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexylmethylamino)ethyl]-2-[7-(3-fluorophenyl)indol-1-yl]acetamide (CID 68710826) is N-[2-(cyclohexylmethylamino)ethyl]-2-[7-(3-fluorophenyl)indol-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexylmethylamino)ethyl]-2-[7-(3-fluorophenyl)indol-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexylmethylamino)ethyl]-2-[7-(3-fluorophenyl)indol-1-yl]acetamide is O=C(Cn1ccc2cccc(-c3cccc(F)c3)c21)NCCNCC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexylmethylamino)ethyl]-2-[7-(3-fluorophenyl)indol-1-yl]acetamide?
The InChIKey is QVWIFUKUKFTZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O/c26-22-10-4-9-21(16-22)23-11-5-8-20-12-15-29(25(20)23)18-24(30)28-14-13-27-17-19-6-2-1-3-7-19/h4-5,8-12,15-16,19,27H,1-3,6-7,13-14,17-18H2,(H,28,30).
What are the key properties of N-[2-(cyclohexylmethylamino)ethyl]-2-[7-(3-fluorophenyl)indol-1-yl]acetamide?
N-[2-(cyclohexylmethylamino)ethyl]-2-[7-(3-fluorophenyl)indol-1-yl]acetamide has a molecular weight of 407.53 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylmethylamino)ethyl]-2-[7-(3-fluorophenyl)indol-1-yl]acetamide is sourced from PubChem (CID 68710826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).