5-chloro-N-(1-cyclopropylethyl)-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxy-1-phenylethyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide

C98H104Cl5N15O9 — CID 162122747

IUPAC5-chloro-N-(1-cyclopropylethyl)-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxy-1-phenylethyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CC1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(N2CCN(C)CC2)cc1.COCCN(C)C(=O)c1ccc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1.O=C(NC(CO)c1ccccc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C23H25ClN4O2.C22H25ClN4O.C22H24ClN3O3.C17H15ClN2O2.C14H15ClN2O/c1-15(25-22(29)21-14-18-13-19(24)7-8-20(18)26-21)16-3-5-17(6-4-16)23(30)28-11-9-27(2)10-12-28;1-15(16-3-6-19(7-4-16)27-11-9-26(2)10-12-27)24-22(28)21-14-17-13-18(23)5-8-20(17)25-21;1-14(15-4-6-16(7-5-15)22(28)26(2)10-11-29-3)24-21(27)20-13-17-12-18(23)8-9-19(17)25-20;18-13-6-7-14-12(8-13)9-15(19-14)17(22)20-16(10-21)11-4-2-1-3-5-11;1-8(9-2-3-9)16-14(18)13-7-10-6-11(15)4-5-12(10)17-13/h3-8,13-15,26H,9-12H2,1-2H3,(H,25,29);3-8,13-15,25H,9-12H2,1-2H3,(H,24,28);4-9,12-14,25H,10-11H2,1-3H3,(H,24,27);1-9,16,19,21H,10H2,(H,20,22);4-9,17H,2-3H2,1H3,(H,16,18)
InChIKeyZHPYJQRESOHGQH-UHFFFAOYSA-N
MW1813.27 g/mol
LogP18.43
Rot. Bonds22

About 5-chloro-N-(1-cyclopropylethyl)-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxy-1-phenylethyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide

5-chloro-N-(1-cyclopropylethyl)-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxy-1-phenylethyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide (PubChem CID 162122747) has the molecular formula C98H104Cl5N15O9 and a molecular weight of 1813.27 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclopropylethyl)-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxy-1-phenylethyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyclopropylethyl)-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxy-1-phenylethyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide
PubChem CID162122747
Molecular FormulaC98H104Cl5N15O9
Molecular Weight1813.27 g/mol
Exact Mass1809.66
IUPAC Name5-chloro-N-(1-cyclopropylethyl)-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxy-1-phenylethyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide
SMILESCC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CC1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(N2CCN(C)CC2)cc1.COCCN(C)C(=O)c1ccc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1.O=C(NC(CO)c1ccccc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C23H25ClN4O2.C22H25ClN4O.C22H24ClN3O3.C17H15ClN2O2.C14H15ClN2O/c1-15(25-22(29)21-14-18-13-19(24)7-8-20(18)26-21)16-3-5-17(6-4-16)23(30)28-11-9-27(2)10-12-28;1-15(16-3-6-19(7-4-16)27-11-9-26(2)10-12-27)24-22(28)21-14-17-13-18(23)5-8-20(17)25-21;1-14(15-4-6-16(7-5-15)22(28)26(2)10-11-29-3)24-21(27)20-13-17-12-18(23)8-9-19(17)25-20;18-13-6-7-14-12(8-13)9-15(19-14)17(22)20-16(10-21)11-4-2-1-3-5-11;1-8(9-2-3-9)16-14(18)13-7-10-6-11(15)4-5-12(10)17-13/h3-8,13-15,26H,9-12H2,1-2H3,(H,25,29);3-8,13-15,25H,9-12H2,1-2H3,(H,24,28);4-9,12-14,25H,10-11H2,1-3H3,(H,24,27);1-9,16,19,21H,10H2,(H,20,22);4-9,17H,2-3H2,1H3,(H,16,18)
InChIKeyZHPYJQRESOHGQH-UHFFFAOYSA-N
XLogP18.43
TPSA304.25 Ų
H-Bond Donors11
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001813.27
LogP ≤ 518.43
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 5-chloro-N-(1-cyclopropylethyl)-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxy-1-phenylethyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyclopropylethyl)-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxy-1-phenylethyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-cyclopropylethyl)-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxy-1-phenylethyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide (CID 162122747) is 5-chloro-N-(1-cyclopropylethyl)-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxy-1-phenylethyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-cyclopropylethyl)-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxy-1-phenylethyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-cyclopropylethyl)-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxy-1-phenylethyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide is CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CC1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(N2CCN(C)CC2)cc1.COCCN(C)C(=O)c1ccc(C(C)NC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1.O=C(NC(CO)c1ccccc1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-(1-cyclopropylethyl)-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxy-1-phenylethyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide?
The InChIKey is ZHPYJQRESOHGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2.C22H25ClN4O.C22H24ClN3O3.C17H15ClN2O2.C14H15ClN2O/c1-15(25-22(29)21-14-18-13-19(24)7-8-20(18)26-21)16-3-5-17(6-4-16)23(30)28-11-9-27(2)10-12-28;1-15(16-3-6-19(7-4-16)27-11-9-26(2)10-12-27)24-22(28)21-14-17-13-18(23)5-8-20(17)25-21;1-14(15-4-6-16(7-5-15)22(28)26(2)10-11-29-3)24-21(27)20-13-17-12-18(23)8-9-19(17)25-20;18-13-6-7-14-12(8-13)9-15(19-14)17(22)20-16(10-21)11-4-2-1-3-5-11;1-8(9-2-3-9)16-14(18)13-7-10-6-11(15)4-5-12(10)17-13/h3-8,13-15,26H,9-12H2,1-2H3,(H,25,29);3-8,13-15,25H,9-12H2,1-2H3,(H,24,28);4-9,12-14,25H,10-11H2,1-3H3,(H,24,27);1-9,16,19,21H,10H2,(H,20,22);4-9,17H,2-3H2,1H3,(H,16,18).
What are the key properties of 5-chloro-N-(1-cyclopropylethyl)-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxy-1-phenylethyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide?
5-chloro-N-(1-cyclopropylethyl)-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxy-1-phenylethyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide has a molecular weight of 1813.27 g/mol, XLogP of 18.43, 22 rotatable bonds, 11 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyclopropylethyl)-1H-indole-2-carboxamide;5-chloro-N-(2-hydroxy-1-phenylethyl)-1H-indole-2-carboxamide;5-chloro-N-[1-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazine-1-carbonyl)phenyl]ethyl]-1H-indole-2-carboxamide;5-chloro-N-[1-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 162122747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).