5-chloro-2-fluoro-N-[6-[8-[3-(3-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide

C34H36ClF2N3O2 — CID 66701124

IUPAC5-chloro-2-fluoro-N-[6-[8-[3-(3-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(CCCc5cccc(F)c5)CC4)C3)cc21)c1cc(Cl)ccc1F
InChIInChI=1S/C34H36ClF2N3O2/c35-26-9-10-30(37)29(21-26)32(41)38-31-11-8-24-6-7-25(20-28(24)31)33(42)40-18-14-34(22-40)12-16-39(17-13-34)15-2-4-23-3-1-5-27(36)19-23/h1,3,5-7,9-10,19-21,31H,2,4,8,11-18,22H2,(H,38,41)
InChIKeyNMHOULURUIBUPA-UHFFFAOYSA-N
MW592.13 g/mol
LogP6.60
Rot. Bonds7

About 5-chloro-2-fluoro-N-[6-[8-[3-(3-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide

5-chloro-2-fluoro-N-[6-[8-[3-(3-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 66701124) has the molecular formula C34H36ClF2N3O2 and a molecular weight of 592.13 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[6-[8-[3-(3-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[6-[8-[3-(3-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID66701124
Molecular FormulaC34H36ClF2N3O2
Molecular Weight592.13 g/mol
Exact Mass591.25
IUPAC Name5-chloro-2-fluoro-N-[6-[8-[3-(3-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(CCCc5cccc(F)c5)CC4)C3)cc21)c1cc(Cl)ccc1F
InChIInChI=1S/C34H36ClF2N3O2/c35-26-9-10-30(37)29(21-26)32(41)38-31-11-8-24-6-7-25(20-28(24)31)33(42)40-18-14-34(22-40)12-16-39(17-13-34)15-2-4-23-3-1-5-27(36)19-23/h1,3,5-7,9-10,19-21,31H,2,4,8,11-18,22H2,(H,38,41)
InChIKeyNMHOULURUIBUPA-UHFFFAOYSA-N
XLogP6.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.13
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-fluoro-N-[6-[8-[3-(3-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[6-[8-[3-(3-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[6-[8-[3-(3-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (CID 66701124) is 5-chloro-2-fluoro-N-[6-[8-[3-(3-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[6-[8-[3-(3-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[6-[8-[3-(3-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(CCCc5cccc(F)c5)CC4)C3)cc21)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[6-[8-[3-(3-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is NMHOULURUIBUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36ClF2N3O2/c35-26-9-10-30(37)29(21-26)32(41)38-31-11-8-24-6-7-25(20-28(24)31)33(42)40-18-14-34(22-40)12-16-39(17-13-34)15-2-4-23-3-1-5-27(36)19-23/h1,3,5-7,9-10,19-21,31H,2,4,8,11-18,22H2,(H,38,41).
What are the key properties of 5-chloro-2-fluoro-N-[6-[8-[3-(3-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
5-chloro-2-fluoro-N-[6-[8-[3-(3-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 592.13 g/mol, XLogP of 6.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[6-[8-[3-(3-fluorophenyl)propyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 66701124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).