N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(3-fluorophenyl)-1H-indol-3-yl]acetamide

C25H30FN3O — CID 69405813

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(3-fluorophenyl)-1H-indol-3-yl]acetamide
SMILESCN(CCNC(=O)Cc1c[nH]c2cc(-c3cccc(F)c3)ccc12)C1CCCCC1
InChIInChI=1S/C25H30FN3O/c1-29(22-8-3-2-4-9-22)13-12-27-25(30)16-20-17-28-24-15-19(10-11-23(20)24)18-6-5-7-21(26)14-18/h5-7,10-11,14-15,17,22,28H,2-4,8-9,12-13,16H2,1H3,(H,27,30)
InChIKeyFAJTZKRAKNVDJS-UHFFFAOYSA-N
MW407.53 g/mol
LogP4.90
Rot. Bonds7

About N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(3-fluorophenyl)-1H-indol-3-yl]acetamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(3-fluorophenyl)-1H-indol-3-yl]acetamide (PubChem CID 69405813) has the molecular formula C25H30FN3O and a molecular weight of 407.53 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(3-fluorophenyl)-1H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(3-fluorophenyl)-1H-indol-3-yl]acetamide
PubChem CID69405813
Molecular FormulaC25H30FN3O
Molecular Weight407.53 g/mol
Exact Mass407.24
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(3-fluorophenyl)-1H-indol-3-yl]acetamide
SMILESCN(CCNC(=O)Cc1c[nH]c2cc(-c3cccc(F)c3)ccc12)C1CCCCC1
InChIInChI=1S/C25H30FN3O/c1-29(22-8-3-2-4-9-22)13-12-27-25(30)16-20-17-28-24-15-19(10-11-23(20)24)18-6-5-7-21(26)14-18/h5-7,10-11,14-15,17,22,28H,2-4,8-9,12-13,16H2,1H3,(H,27,30)
InChIKeyFAJTZKRAKNVDJS-UHFFFAOYSA-N
XLogP4.90
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.53
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-ethenylphenyl)-1H-indol-3-yl]acetamide
CID 69405463
N-[2-(dimethylamino)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209367
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113056716
N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide
CID 110444026
2-(6-fluoro-1H-indol-3-yl)-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 111464326
N-[2-(azepan-1-yl)ethyl]-2-[6-(4-methylphenyl)-1H-indol-3-yl]acetamide
CID 90754095
1-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111877735
N-[2-[cyclopentyl(methyl)amino]ethyl]-4-fluoro-2-hydroxybenzamide
CID 103829954
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113065842
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107029703
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 86944940
N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 110833777

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(3-fluorophenyl)-1H-indol-3-yl]acetamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(3-fluorophenyl)-1H-indol-3-yl]acetamide (CID 69405813) is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(3-fluorophenyl)-1H-indol-3-yl]acetamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(3-fluorophenyl)-1H-indol-3-yl]acetamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(3-fluorophenyl)-1H-indol-3-yl]acetamide is CN(CCNC(=O)Cc1c[nH]c2cc(-c3cccc(F)c3)ccc12)C1CCCCC1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(3-fluorophenyl)-1H-indol-3-yl]acetamide?
The InChIKey is FAJTZKRAKNVDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O/c1-29(22-8-3-2-4-9-22)13-12-27-25(30)16-20-17-28-24-15-19(10-11-23(20)24)18-6-5-7-21(26)14-18/h5-7,10-11,14-15,17,22,28H,2-4,8-9,12-13,16H2,1H3,(H,27,30).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(3-fluorophenyl)-1H-indol-3-yl]acetamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(3-fluorophenyl)-1H-indol-3-yl]acetamide has a molecular weight of 407.53 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(3-fluorophenyl)-1H-indol-3-yl]acetamide is sourced from PubChem (CID 69405813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).