6-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide

C77H89Cl3F3N13O12 — CID 167680707

IUPAC6-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide
SMILESCC(C)NC(=O)c1nc2c(OC(F)(F)F)cccc2[nH]1.COc1cc(Cl)c2[nH]c(C(=O)NC(C)C)cc2c1.COc1cc(Cl)cc2[nH]c(C(=O)NC(C)C)cc12.COc1ccc(Cl)c2[nH]c(C(=O)NC(C)C)cc12.COc1ccc2[nH]c(C(=O)NC(C)C)cc2c1.COc1cccc2[nH]c(C(=O)NC(C)C)cc12
InChIInChI=1S/3C13H15ClN2O2.2C13H16N2O2.C12H12F3N3O2/c1-7(2)15-13(17)11-6-9-10(16-11)4-8(14)5-12(9)18-3;1-7(2)15-13(17)11-5-8-4-9(18-3)6-10(14)12(8)16-11;1-7(2)15-13(17)10-6-8-11(18-3)5-4-9(14)12(8)16-10;1-8(2)14-13(16)12-7-9-6-10(17-3)4-5-11(9)15-12;1-8(2)14-13(16)11-7-9-10(15-11)5-4-6-12(9)17-3;1-6(2)16-11(19)10-17-7-4-3-5-8(9(7)18-10)20-12(13,14)15/h3*4-7,16H,1-3H3,(H,15,17);2*4-8,15H,1-3H3,(H,14,16);3-6H,1-2H3,(H,16,19)(H,17,18)
InChIKeyVMPRLJRJVGBDIS-UHFFFAOYSA-N
MW1551.99 g/mol
LogP16.13
Rot. Bonds18

About 6-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide

6-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide (PubChem CID 167680707) has the molecular formula C77H89Cl3F3N13O12 and a molecular weight of 1551.99 g/mol. Its IUPAC name is 6-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide
PubChem CID167680707
Molecular FormulaC77H89Cl3F3N13O12
Molecular Weight1551.99 g/mol
Exact Mass1549.58
IUPAC Name6-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide
SMILESCC(C)NC(=O)c1nc2c(OC(F)(F)F)cccc2[nH]1.COc1cc(Cl)c2[nH]c(C(=O)NC(C)C)cc2c1.COc1cc(Cl)cc2[nH]c(C(=O)NC(C)C)cc12.COc1ccc(Cl)c2[nH]c(C(=O)NC(C)C)cc12.COc1ccc2[nH]c(C(=O)NC(C)C)cc2c1.COc1cccc2[nH]c(C(=O)NC(C)C)cc12
InChIInChI=1S/3C13H15ClN2O2.2C13H16N2O2.C12H12F3N3O2/c1-7(2)15-13(17)11-6-9-10(16-11)4-8(14)5-12(9)18-3;1-7(2)15-13(17)11-5-8-4-9(18-3)6-10(14)12(8)16-11;1-7(2)15-13(17)10-6-8-11(18-3)5-4-9(14)12(8)16-10;1-8(2)14-13(16)12-7-9-6-10(17-3)4-5-11(9)15-12;1-8(2)14-13(16)11-7-9-10(15-11)5-4-6-12(9)17-3;1-6(2)16-11(19)10-17-7-4-3-5-8(9(7)18-10)20-12(13,14)15/h3*4-7,16H,1-3H3,(H,15,17);2*4-8,15H,1-3H3,(H,14,16);3-6H,1-2H3,(H,16,19)(H,17,18)
InChIKeyVMPRLJRJVGBDIS-UHFFFAOYSA-N
XLogP16.13
TPSA337.61 Ų
H-Bond Donors12
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001551.99
LogP ≤ 516.13
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1013

Analyze 6-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide?
The IUPAC name of 6-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide (CID 167680707) is 6-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for 6-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide?
The canonical SMILES for 6-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide is CC(C)NC(=O)c1nc2c(OC(F)(F)F)cccc2[nH]1.COc1cc(Cl)c2[nH]c(C(=O)NC(C)C)cc2c1.COc1cc(Cl)cc2[nH]c(C(=O)NC(C)C)cc12.COc1ccc(Cl)c2[nH]c(C(=O)NC(C)C)cc12.COc1ccc2[nH]c(C(=O)NC(C)C)cc2c1.COc1cccc2[nH]c(C(=O)NC(C)C)cc12.
What is the InChIKey of 6-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide?
The InChIKey is VMPRLJRJVGBDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H15ClN2O2.2C13H16N2O2.C12H12F3N3O2/c1-7(2)15-13(17)11-6-9-10(16-11)4-8(14)5-12(9)18-3;1-7(2)15-13(17)11-5-8-4-9(18-3)6-10(14)12(8)16-11;1-7(2)15-13(17)10-6-8-11(18-3)5-4-9(14)12(8)16-10;1-8(2)14-13(16)12-7-9-6-10(17-3)4-5-11(9)15-12;1-8(2)14-13(16)11-7-9-10(15-11)5-4-6-12(9)17-3;1-6(2)16-11(19)10-17-7-4-3-5-8(9(7)18-10)20-12(13,14)15/h3*4-7,16H,1-3H3,(H,15,17);2*4-8,15H,1-3H3,(H,14,16);3-6H,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 6-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide?
6-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide has a molecular weight of 1551.99 g/mol, XLogP of 16.13, 18 rotatable bonds, 12 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 167680707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).