2-(4-fluorophenyl)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]acetamide

C23H25FN2O3 — CID 92568271

IUPAC2-(4-fluorophenyl)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCc1c[nH]c2cccc(C3(O)CCOCC3)c12
InChIInChI=1S/C23H25FN2O3/c24-18-6-4-16(5-7-18)14-21(27)25-11-8-17-15-26-20-3-1-2-19(22(17)20)23(28)9-12-29-13-10-23/h1-7,15,26,28H,8-14H2,(H,25,27)
InChIKeyLNJOZBRZUBMDIQ-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.21
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]acetamide

2-(4-fluorophenyl)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]acetamide (PubChem CID 92568271) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]acetamide
PubChem CID92568271
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name2-(4-fluorophenyl)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCc1c[nH]c2cccc(C3(O)CCOCC3)c12
InChIInChI=1S/C23H25FN2O3/c24-18-6-4-16(5-7-18)14-21(27)25-11-8-17-15-26-20-3-1-2-19(22(17)20)23(28)9-12-29-13-10-23/h1-7,15,26,28H,8-14H2,(H,25,27)
InChIKeyLNJOZBRZUBMDIQ-UHFFFAOYSA-N
XLogP3.21
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]-2-methylcyclopropane-1-carboxamide
CID 92583677
1-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
CID 86888355
4-(aminomethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]oxane-4-carboxamide
CID 120931113
2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide
CID 95984816
1-hydroxy-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 110932725
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 119774498
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(3-fluorophenyl)acetamide
CID 110731491
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclobutane-1-carboxamide
CID 110438229
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 56790222
2-hydroxy-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 110003288
N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-3,5-bis(hydroxymethyl)benzamide
CID 167960853
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 119318274

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]acetamide (CID 92568271) is 2-(4-fluorophenyl)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]acetamide is O=C(Cc1ccc(F)cc1)NCCc1c[nH]c2cccc(C3(O)CCOCC3)c12.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is LNJOZBRZUBMDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c24-18-6-4-16(5-7-18)14-21(27)25-11-8-17-15-26-20-3-1-2-19(22(17)20)23(28)9-12-29-13-10-23/h1-7,15,26,28H,8-14H2,(H,25,27).
What are the key properties of 2-(4-fluorophenyl)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 396.46 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 92568271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).