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

C29H35Cl2N3O2 — CID 46935840

IUPAC2,3-dichloro-N-[6-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCC(C)CN1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(NC(=O)c1cccc(Cl)c1Cl)CC3)C2
InChIInChI=1S/C29H35Cl2N3O2/c1-19(2)17-33-13-10-29(11-14-33)12-15-34(18-29)28(36)21-7-6-20-8-9-25(23(20)16-21)32-27(35)22-4-3-5-24(30)26(22)31/h3-7,16,19,25H,8-15,17-18H2,1-2H3,(H,32,35)
InChIKeyNKSNRUHHXXVQSM-UHFFFAOYSA-N
MW528.52 g/mol
LogP5.99
Rot. Bonds5

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

2,3-dichloro-N-[6-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 46935840) has the molecular formula C29H35Cl2N3O2 and a molecular weight of 528.52 g/mol. Its IUPAC name is 2,3-dichloro-N-[6-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[6-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID46935840
Molecular FormulaC29H35Cl2N3O2
Molecular Weight528.52 g/mol
Exact Mass527.21
IUPAC Name2,3-dichloro-N-[6-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCC(C)CN1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(NC(=O)c1cccc(Cl)c1Cl)CC3)C2
InChIInChI=1S/C29H35Cl2N3O2/c1-19(2)17-33-13-10-29(11-14-33)12-15-34(18-29)28(36)21-7-6-20-8-9-25(23(20)16-21)32-27(35)22-4-3-5-24(30)26(22)31/h3-7,16,19,25H,8-15,17-18H2,1-2H3,(H,32,35)
InChIKeyNKSNRUHHXXVQSM-UHFFFAOYSA-N
XLogP5.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.52
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[6-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[6-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (CID 46935840) is 2,3-dichloro-N-[6-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[6-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[6-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is CC(C)CN1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(NC(=O)c1cccc(Cl)c1Cl)CC3)C2.
What is the InChIKey of 2,3-dichloro-N-[6-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is NKSNRUHHXXVQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35Cl2N3O2/c1-19(2)17-33-13-10-29(11-14-33)12-15-34(18-29)28(36)21-7-6-20-8-9-25(23(20)16-21)32-27(35)22-4-3-5-24(30)26(22)31/h3-7,16,19,25H,8-15,17-18H2,1-2H3,(H,32,35).
What are the key properties of 2,3-dichloro-N-[6-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
2,3-dichloro-N-[6-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 528.52 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[6-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 46935840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).