6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide

C36H32Cl2N4O2 — CID 127035702

IUPAC6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C36H32Cl2N4O2/c37-26-12-10-24(11-13-26)23-42-31-9-5-4-8-29(31)32(25-6-2-1-3-7-25)35(42)33-28-15-14-27(38)22-30(28)40-34(33)36(43)39-16-17-41-18-20-44-21-19-41/h1-15,22,40H,16-21,23H2,(H,39,43)
InChIKeyJGZBGIYKXKIGEC-UHFFFAOYSA-N
MW623.58 g/mol
LogP7.87
Rot. Bonds8

About 6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide

6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide (PubChem CID 127035702) has the molecular formula C36H32Cl2N4O2 and a molecular weight of 623.58 g/mol. Its IUPAC name is 6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide
PubChem CID127035702
Molecular FormulaC36H32Cl2N4O2
Molecular Weight623.58 g/mol
Exact Mass622.19
IUPAC Name6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C36H32Cl2N4O2/c37-26-12-10-24(11-13-26)23-42-31-9-5-4-8-29(31)32(25-6-2-1-3-7-25)35(42)33-28-15-14-27(38)22-30(28)40-34(33)36(43)39-16-17-41-18-20-44-21-19-41/h1-15,22,40H,16-21,23H2,(H,39,43)
InChIKeyJGZBGIYKXKIGEC-UHFFFAOYSA-N
XLogP7.87
TPSA62.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.58
LogP ≤ 57.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 66605844
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CID 3245055
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CID 16406260
CID 16406260
CID 44265932
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CID 72713186
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CID 137645614
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CID 137646904
CID 137646904

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide (CID 127035702) is 6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide is O=C(NCCN1CCOCC1)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide?
The InChIKey is JGZBGIYKXKIGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32Cl2N4O2/c37-26-12-10-24(11-13-26)23-42-31-9-5-4-8-29(31)32(25-6-2-1-3-7-25)35(42)33-28-15-14-27(38)22-30(28)40-34(33)36(43)39-16-17-41-18-20-44-21-19-41/h1-15,22,40H,16-21,23H2,(H,39,43).
What are the key properties of 6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide?
6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide has a molecular weight of 623.58 g/mol, XLogP of 7.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 127035702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).