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

C33H35ClFN3O2 — CID 66700820

IUPAC2-chloro-6-fluoro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(CCc5ccccc5)CC4)C3)cc21)c1c(F)cccc1Cl
InChIInChI=1S/C33H35ClFN3O2/c34-27-7-4-8-28(35)30(27)31(39)36-29-12-11-24-9-10-25(21-26(24)29)32(40)38-20-16-33(22-38)14-18-37(19-15-33)17-13-23-5-2-1-3-6-23/h1-10,21,29H,11-20,22H2,(H,36,39)
InChIKeyNYZBEAUKHULSLJ-UHFFFAOYSA-N
MW560.11 g/mol
LogP6.07
Rot. Bonds6

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

2-chloro-6-fluoro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 66700820) has the molecular formula C33H35ClFN3O2 and a molecular weight of 560.11 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID66700820
Molecular FormulaC33H35ClFN3O2
Molecular Weight560.11 g/mol
Exact Mass559.24
IUPAC Name2-chloro-6-fluoro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESO=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(CCc5ccccc5)CC4)C3)cc21)c1c(F)cccc1Cl
InChIInChI=1S/C33H35ClFN3O2/c34-27-7-4-8-28(35)30(27)31(39)36-29-12-11-24-9-10-25(21-26(24)29)32(40)38-20-16-33(22-38)14-18-37(19-15-33)17-13-23-5-2-1-3-6-23/h1-10,21,29H,11-20,22H2,(H,36,39)
InChIKeyNYZBEAUKHULSLJ-UHFFFAOYSA-N
XLogP6.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.11
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-6-fluoro-N-[6-[8-(2-phenylethyl)-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 2-chloro-6-fluoro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (CID 66700820) is 2-chloro-6-fluoro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is O=C(NC1CCc2ccc(C(=O)N3CCC4(CCN(CCc5ccccc5)CC4)C3)cc21)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is NYZBEAUKHULSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35ClFN3O2/c34-27-7-4-8-28(35)30(27)31(39)36-29-12-11-24-9-10-25(21-26(24)29)32(40)38-20-16-33(22-38)14-18-37(19-15-33)17-13-23-5-2-1-3-6-23/h1-10,21,29H,11-20,22H2,(H,36,39).
What are the key properties of 2-chloro-6-fluoro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
2-chloro-6-fluoro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 560.11 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[6-[8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 66700820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).