3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1S,2S)-2-hydroxycyclopentyl]cyclobutane-1-carboxamide

C24H23F3N2O2 — CID 166630124

IUPAC3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1S,2S)-2-hydroxycyclopentyl]cyclobutane-1-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H]1O)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C24H23F3N2O2/c25-15-6-4-12(5-7-15)22-21(17-10-16(26)11-18(27)23(17)29-22)13-8-14(9-13)24(31)28-19-2-1-3-20(19)30/h4-7,10-11,13-14,19-20,29-30H,1-3,8-9H2,(H,28,31)/t13?,14?,19-,20-/m0/s1
InChIKeyBDQUIIKEEXIONO-CLONCEMUSA-N
MW428.45 g/mol
LogP4.78
Rot. Bonds4

About 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1S,2S)-2-hydroxycyclopentyl]cyclobutane-1-carboxamide

3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1S,2S)-2-hydroxycyclopentyl]cyclobutane-1-carboxamide (PubChem CID 166630124) has the molecular formula C24H23F3N2O2 and a molecular weight of 428.45 g/mol. Its IUPAC name is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1S,2S)-2-hydroxycyclopentyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1S,2S)-2-hydroxycyclopentyl]cyclobutane-1-carboxamide
PubChem CID166630124
Molecular FormulaC24H23F3N2O2
Molecular Weight428.45 g/mol
Exact Mass428.17
IUPAC Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1S,2S)-2-hydroxycyclopentyl]cyclobutane-1-carboxamide
SMILESO=C(N[C@H]1CCC[C@@H]1O)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
InChIInChI=1S/C24H23F3N2O2/c25-15-6-4-12(5-7-15)22-21(17-10-16(26)11-18(27)23(17)29-22)13-8-14(9-13)24(31)28-19-2-1-3-20(19)30/h4-7,10-11,13-14,19-20,29-30H,1-3,8-9H2,(H,28,31)/t13?,14?,19-,20-/m0/s1
InChIKeyBDQUIIKEEXIONO-CLONCEMUSA-N
XLogP4.78
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1S,2S)-2-hydroxycyclopentyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1S,2S)-2-hydroxycyclopentyl]cyclobutane-1-carboxamide (CID 166630124) is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1S,2S)-2-hydroxycyclopentyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1S,2S)-2-hydroxycyclopentyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1S,2S)-2-hydroxycyclopentyl]cyclobutane-1-carboxamide is O=C(N[C@H]1CCC[C@@H]1O)C1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1.
What is the InChIKey of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1S,2S)-2-hydroxycyclopentyl]cyclobutane-1-carboxamide?
The InChIKey is BDQUIIKEEXIONO-CLONCEMUSA-N. The full InChI is InChI=1S/C24H23F3N2O2/c25-15-6-4-12(5-7-15)22-21(17-10-16(26)11-18(27)23(17)29-22)13-8-14(9-13)24(31)28-19-2-1-3-20(19)30/h4-7,10-11,13-14,19-20,29-30H,1-3,8-9H2,(H,28,31)/t13?,14?,19-,20-/m0/s1.
What are the key properties of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1S,2S)-2-hydroxycyclopentyl]cyclobutane-1-carboxamide?
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1S,2S)-2-hydroxycyclopentyl]cyclobutane-1-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 4.78, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1S,2S)-2-hydroxycyclopentyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 166630124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).