2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide

C35H34Cl2FN3O3 — CID 66701276

IUPAC2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide
SMILESO=C(c1ccc2c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC2)N1CCC2(CCN(C(=O)c3ccc(F)cc3Cl)CC2)C1
InChIInChI=1S/C35H34Cl2FN3O3/c36-29-4-2-1-3-26(29)34(44)41(25-9-10-25)31-12-7-22-5-6-23(19-28(22)31)32(42)40-18-15-35(21-40)13-16-39(17-14-35)33(43)27-11-8-24(38)20-30(27)37/h1-6,8,11,19-20,25,31H,7,9-10,12-18,21H2
InChIKeyLJDAADTUTYXAHN-UHFFFAOYSA-N
MW634.58 g/mol
LogP7.19
Rot. Bonds5

About 2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide

2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide (PubChem CID 66701276) has the molecular formula C35H34Cl2FN3O3 and a molecular weight of 634.58 g/mol. Its IUPAC name is 2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide
PubChem CID66701276
Molecular FormulaC35H34Cl2FN3O3
Molecular Weight634.58 g/mol
Exact Mass633.20
IUPAC Name2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide
SMILESO=C(c1ccc2c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC2)N1CCC2(CCN(C(=O)c3ccc(F)cc3Cl)CC2)C1
InChIInChI=1S/C35H34Cl2FN3O3/c36-29-4-2-1-3-26(29)34(44)41(25-9-10-25)31-12-7-22-5-6-23(19-28(22)31)32(42)40-18-15-35(21-40)13-16-39(17-14-35)33(43)27-11-8-24(38)20-30(27)37/h1-6,8,11,19-20,25,31H,7,9-10,12-18,21H2
InChIKeyLJDAADTUTYXAHN-UHFFFAOYSA-N
XLogP7.19
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.58
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-chloro-N-dodecylbenzamide
CID 44596343
N-[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-chloro-N-heptylbenzamide
CID 44597958
N-[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]-2-chloro-N-decylbenzamide
CID 44597959
8-[2-(2-Chlorobenzoyl)-1,3-dihydroisoindole-5-carbonyl]-2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 46896798
2-chloro-N-[6-[9-[(2,6-difluorophenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide
CID 46935388
5-chloro-N-[6-[8-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide
CID 46935435
2-chloro-N-[6-[8-[(2,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide
CID 46935483
2-chloro-N-[6-[8-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide
CID 46935484
2-chloro-N-[6-[8-[(4-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide
CID 46935485
2-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide
CID 46935530
2-chloro-N-[6-[8-[(2-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-5-(trifluoromethyl)benzamide
CID 46935532
5-chloro-N-[6-[8-[(3-cyanophenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide
CID 46935622

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide?
The IUPAC name of 2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide (CID 66701276) is 2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide is O=C(c1ccc2c(c1)C(N(C(=O)c1ccccc1Cl)C1CC1)CC2)N1CCC2(CCN(C(=O)c3ccc(F)cc3Cl)CC2)C1.
What is the InChIKey of 2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide?
The InChIKey is LJDAADTUTYXAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34Cl2FN3O3/c36-29-4-2-1-3-26(29)34(44)41(25-9-10-25)31-12-7-22-5-6-23(19-28(22)31)32(42)40-18-15-35(21-40)13-16-39(17-14-35)33(43)27-11-8-24(38)20-30(27)37/h1-6,8,11,19-20,25,31H,7,9-10,12-18,21H2.
What are the key properties of 2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide?
2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide has a molecular weight of 634.58 g/mol, XLogP of 7.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-[8-(2-chloro-4-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 66701276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).