N-(3-aminopropyl)-N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]benzamide;N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide

C66H66Cl2N6O4 — CID 157328416

IUPACN-(3-aminopropyl)-N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]benzamide;N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide
SMILESCC(C)C(c1cc2cc(Cl)ccc2n1Cc1ccccc1)N(CCCN)C(=O)c1ccccc1.CC(C)C(c1cc2cc(Cl)ccc2n1Cc1ccccc1)N(CCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1
InChIInChI=1S/C37H34ClN3O3.C29H32ClN3O/c1-25(2)34(33-23-28-22-29(38)18-19-32(28)41(33)24-26-12-5-3-6-13-26)39(35(42)27-14-7-4-8-15-27)20-11-21-40-36(43)30-16-9-10-17-31(30)37(40)44;1-21(2)28(32(17-9-16-31)29(34)23-12-7-4-8-13-23)27-19-24-18-25(30)14-15-26(24)33(27)20-22-10-5-3-6-11-22/h3-10,12-19,22-23,25,34H,11,20-21,24H2,1-2H3;3-8,10-15,18-19,21,28H,9,16-17,20,31H2,1-2H3
InChIKeyBEZOEDRMYGAIAO-UHFFFAOYSA-N
MW1078.20 g/mol
LogP14.40
Rot. Bonds19

About N-(3-aminopropyl)-N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]benzamide;N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide

N-(3-aminopropyl)-N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]benzamide;N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide (PubChem CID 157328416) has the molecular formula C66H66Cl2N6O4 and a molecular weight of 1078.20 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]benzamide;N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]benzamide;N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide
PubChem CID157328416
Molecular FormulaC66H66Cl2N6O4
Molecular Weight1078.20 g/mol
Exact Mass1076.45
IUPAC NameN-(3-aminopropyl)-N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]benzamide;N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide
SMILESCC(C)C(c1cc2cc(Cl)ccc2n1Cc1ccccc1)N(CCCN)C(=O)c1ccccc1.CC(C)C(c1cc2cc(Cl)ccc2n1Cc1ccccc1)N(CCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1
InChIInChI=1S/C37H34ClN3O3.C29H32ClN3O/c1-25(2)34(33-23-28-22-29(38)18-19-32(28)41(33)24-26-12-5-3-6-13-26)39(35(42)27-14-7-4-8-15-27)20-11-21-40-36(43)30-16-9-10-17-31(30)37(40)44;1-21(2)28(32(17-9-16-31)29(34)23-12-7-4-8-13-23)27-19-24-18-25(30)14-15-26(24)33(27)20-22-10-5-3-6-11-22/h3-10,12-19,22-23,25,34H,11,20-21,24H2,1-2H3;3-8,10-15,18-19,21,28H,9,16-17,20,31H2,1-2H3
InChIKeyBEZOEDRMYGAIAO-UHFFFAOYSA-N
XLogP14.40
TPSA113.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001078.20
LogP ≤ 514.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(3-aminopropyl)-N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]benzamide;N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide with MolForge

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Related Compounds

(3E)-5-chloro-3-[[2-chloro-1-(3-phenylpropyl)indol-3-yl]methylidene]-1H-indol-2-one
CID 90670851
2-((6-chloro-2,3,4,9-tetrahydro-1H-carbazol-8-yl)methyl)isoindoline-1,3-dione
CID 8741583
5-chloro-N-[2-[[5-[4-(2-fluorophenyl)piperidin-1-yl]-2,2-diphenylpentyl]amino]-2-oxoethyl]-1-methylindole-2-carboxamide
CID 9939592
[2-[5-Chloro-1-[2-(diethylamino)ethyl]-3-phenylindol-2-yl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 10239385
2-chloro-N-[1-(5-chloro-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-4-(methylamino)-4-oxobutan-2-yl]-4-fluorobenzamide
CID 51348477
N-[(2R)-1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-2-yl)-1-oxopropan-2-yl]-1-(1-methylindole-2-carbonyl)piperidine-4-carboxamide
CID 134849690
2-(5-Chloro-1-methyl-2-phenylindol-3-yl)isoindole-1,3-dione
CID 138973143
(4aR,5S,6S,11cR)-1'-benzyl-5'-chloro-7-methyl-5-(4-methylbenzoyl)spiro[2,3,4,4a,5,11c-hexahydro-1H-benzo[c]carbazole-6,3'-indole]-2'-one
CID 139095766
(S,Z)-N-(2-((2-((1-Benzyl-2-oxoindolin-3-ylidene)(1H-indol-2-yl)methyl)phenyl)amino)-1-(4-chlorophenyl)-2-oxoethyl)benzamide
CID 162414490
18-Chloro-3-methyl-3,14,22-triazapentacyclo[12.8.0.02,10.04,9.016,21]docosa-1(22),2(10),4,6,8,11,16(21),17,19-nonaen-15-one
CID 168328809
(3S)-1-benzyl-5-chloro-3-[9-methyl-1-(4-methylphenyl)-4-phenylcarbazol-2-yl]-3H-indol-2-one
CID 168329484
N-[(1R)-2-[2-[(Z)-(1-benzyl-2-oxoindol-3-ylidene)-(1H-indol-2-yl)methyl]anilino]-1-(4-chlorophenyl)-2-oxoethyl]benzamide;dichloromethane
CID 168336525

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]benzamide;N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide?
The IUPAC name of N-(3-aminopropyl)-N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]benzamide;N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide (CID 157328416) is N-(3-aminopropyl)-N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]benzamide;N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]benzamide;N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide?
The canonical SMILES for N-(3-aminopropyl)-N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]benzamide;N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide is CC(C)C(c1cc2cc(Cl)ccc2n1Cc1ccccc1)N(CCCN)C(=O)c1ccccc1.CC(C)C(c1cc2cc(Cl)ccc2n1Cc1ccccc1)N(CCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]benzamide;N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide?
The InChIKey is BEZOEDRMYGAIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34ClN3O3.C29H32ClN3O/c1-25(2)34(33-23-28-22-29(38)18-19-32(28)41(33)24-26-12-5-3-6-13-26)39(35(42)27-14-7-4-8-15-27)20-11-21-40-36(43)30-16-9-10-17-31(30)37(40)44;1-21(2)28(32(17-9-16-31)29(34)23-12-7-4-8-13-23)27-19-24-18-25(30)14-15-26(24)33(27)20-22-10-5-3-6-11-22/h3-10,12-19,22-23,25,34H,11,20-21,24H2,1-2H3;3-8,10-15,18-19,21,28H,9,16-17,20,31H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]benzamide;N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide?
N-(3-aminopropyl)-N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]benzamide;N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide has a molecular weight of 1078.20 g/mol, XLogP of 14.40, 19 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]benzamide;N-[1-(1-benzyl-5-chloroindol-2-yl)-2-methylpropyl]-N-[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide is sourced from PubChem (CID 157328416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).