N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(fluoromethyl)phenyl]indol-1-yl]acetamide

C26H32FN3O — CID 70842233

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(fluoromethyl)phenyl]indol-1-yl]acetamide
SMILESCN(CCNC(=O)Cn1ccc2ccc(-c3ccc(CF)cc3)cc21)C1CCCCC1
InChIInChI=1S/C26H32FN3O/c1-29(24-5-3-2-4-6-24)16-14-28-26(31)19-30-15-13-22-11-12-23(17-25(22)30)21-9-7-20(18-27)8-10-21/h7-13,15,17,24H,2-6,14,16,18-19H2,1H3,(H,28,31)
InChIKeyHKQKTNIEZSFNDJ-UHFFFAOYSA-N
MW421.56 g/mol
LogP5.16
Rot. Bonds8

About N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(fluoromethyl)phenyl]indol-1-yl]acetamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(fluoromethyl)phenyl]indol-1-yl]acetamide (PubChem CID 70842233) has the molecular formula C26H32FN3O and a molecular weight of 421.56 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(fluoromethyl)phenyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(fluoromethyl)phenyl]indol-1-yl]acetamide
PubChem CID70842233
Molecular FormulaC26H32FN3O
Molecular Weight421.56 g/mol
Exact Mass421.25
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(fluoromethyl)phenyl]indol-1-yl]acetamide
SMILESCN(CCNC(=O)Cn1ccc2ccc(-c3ccc(CF)cc3)cc21)C1CCCCC1
InChIInChI=1S/C26H32FN3O/c1-29(24-5-3-2-4-6-24)16-14-28-26(31)19-30-15-13-22-11-12-23(17-25(22)30)21-9-7-20(18-27)8-10-21/h7-13,15,17,24H,2-6,14,16,18-19H2,1H3,(H,28,31)
InChIKeyHKQKTNIEZSFNDJ-UHFFFAOYSA-N
XLogP5.16
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.56
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(fluoromethyl)phenyl]indol-1-yl]acetamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(fluoromethyl)phenyl]indol-1-yl]acetamide (CID 70842233) is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(fluoromethyl)phenyl]indol-1-yl]acetamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(fluoromethyl)phenyl]indol-1-yl]acetamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(fluoromethyl)phenyl]indol-1-yl]acetamide is CN(CCNC(=O)Cn1ccc2ccc(-c3ccc(CF)cc3)cc21)C1CCCCC1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(fluoromethyl)phenyl]indol-1-yl]acetamide?
The InChIKey is HKQKTNIEZSFNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O/c1-29(24-5-3-2-4-6-24)16-14-28-26(31)19-30-15-13-22-11-12-23(17-25(22)30)21-9-7-20(18-27)8-10-21/h7-13,15,17,24H,2-6,14,16,18-19H2,1H3,(H,28,31).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(fluoromethyl)phenyl]indol-1-yl]acetamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(fluoromethyl)phenyl]indol-1-yl]acetamide has a molecular weight of 421.56 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(fluoromethyl)phenyl]indol-1-yl]acetamide is sourced from PubChem (CID 70842233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).