5-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide

C119H108Cl5F2N15O8 — CID 157234091

IUPAC5-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide
SMILESCC(C)(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.CC(C)C(C)NC(=O)c1cc2cc(Cl)ccc2[nH]1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCCC1.C[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(Cl)cc1.C[C@@H](NC(=O)c1nc2ccccc2o1)c1ccccc1.O=C(Nc1cccc2ccccc12)c1cc2ccc(F)cc2[nH]1.O=C(Nc1cccc2ncccc12)c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C19H13FN2O.C18H17ClN2O.C18H12FN3O.C17H14Cl2N2O.C17H21ClN2O.C16H14N2O2.C14H17ClN2O/c20-14-9-8-13-10-18(21-17(13)11-14)19(23)22-16-7-3-5-12-4-1-2-6-15(12)16;1-18(2,13-6-4-3-5-7-13)21-17(22)16-11-12-10-14(19)8-9-15(12)20-16;19-12-7-6-11-9-17(21-16(11)10-12)18(23)22-15-5-1-4-14-13(15)3-2-8-20-14;1-10(11-2-4-13(18)5-3-11)20-17(22)16-9-12-8-14(19)6-7-15(12)21-16;1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;1-11(12-7-3-2-4-8-12)17-15(19)16-18-13-9-5-6-10-14(13)20-16;1-8(2)9(3)16-14(18)13-7-10-6-11(15)4-5-12(10)17-13/h1-11,21H,(H,22,23);3-11,20H,1-2H3,(H,21,22);1-10,21H,(H,22,23);2-10,21H,1H3,(H,20,22);7-12,20H,2-6H2,1H3,(H,19,21);2-11H,1H3,(H,17,19);4-9,17H,1-3H3,(H,16,18)/t;;;10-;;11-;/m...1.1./s1
InChIKeyAUKZIHRCYWRWNJ-NPWADKKISA-N
MW2091.53 g/mol
LogP29.71
Rot. Bonds19

About 5-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide

5-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide (PubChem CID 157234091) has the molecular formula C119H108Cl5F2N15O8 and a molecular weight of 2091.53 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide
PubChem CID157234091
Molecular FormulaC119H108Cl5F2N15O8
Molecular Weight2091.53 g/mol
Exact Mass2087.69
IUPAC Name5-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide
SMILESCC(C)(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.CC(C)C(C)NC(=O)c1cc2cc(Cl)ccc2[nH]1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCCC1.C[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(Cl)cc1.C[C@@H](NC(=O)c1nc2ccccc2o1)c1ccccc1.O=C(Nc1cccc2ccccc12)c1cc2ccc(F)cc2[nH]1.O=C(Nc1cccc2ncccc12)c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C19H13FN2O.C18H17ClN2O.C18H12FN3O.C17H14Cl2N2O.C17H21ClN2O.C16H14N2O2.C14H17ClN2O/c20-14-9-8-13-10-18(21-17(13)11-14)19(23)22-16-7-3-5-12-4-1-2-6-15(12)16;1-18(2,13-6-4-3-5-7-13)21-17(22)16-11-12-10-14(19)8-9-15(12)20-16;19-12-7-6-11-9-17(21-16(11)10-12)18(23)22-15-5-1-4-14-13(15)3-2-8-20-14;1-10(11-2-4-13(18)5-3-11)20-17(22)16-9-12-8-14(19)6-7-15(12)21-16;1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;1-11(12-7-3-2-4-8-12)17-15(19)16-18-13-9-5-6-10-14(13)20-16;1-8(2)9(3)16-14(18)13-7-10-6-11(15)4-5-12(10)17-13/h1-11,21H,(H,22,23);3-11,20H,1-2H3,(H,21,22);1-10,21H,(H,22,23);2-10,21H,1H3,(H,20,22);7-12,20H,2-6H2,1H3,(H,19,21);2-11H,1H3,(H,17,19);4-9,17H,1-3H3,(H,16,18)/t;;;10-;;11-;/m...1.1./s1
InChIKeyAUKZIHRCYWRWNJ-NPWADKKISA-N
XLogP29.71
TPSA337.36 Ų
H-Bond Donors13
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms149
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002091.53
LogP ≤ 529.71
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1010

Analyze 5-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide (CID 157234091) is 5-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide is CC(C)(NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.CC(C)C(C)NC(=O)c1cc2cc(Cl)ccc2[nH]1.CC(NC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCCC1.C[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(Cl)cc1.C[C@@H](NC(=O)c1nc2ccccc2o1)c1ccccc1.O=C(Nc1cccc2ccccc12)c1cc2ccc(F)cc2[nH]1.O=C(Nc1cccc2ncccc12)c1cc2ccc(F)cc2[nH]1.
What is the InChIKey of 5-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide?
The InChIKey is AUKZIHRCYWRWNJ-NPWADKKISA-N. The full InChI is InChI=1S/C19H13FN2O.C18H17ClN2O.C18H12FN3O.C17H14Cl2N2O.C17H21ClN2O.C16H14N2O2.C14H17ClN2O/c20-14-9-8-13-10-18(21-17(13)11-14)19(23)22-16-7-3-5-12-4-1-2-6-15(12)16;1-18(2,13-6-4-3-5-7-13)21-17(22)16-11-12-10-14(19)8-9-15(12)20-16;19-12-7-6-11-9-17(21-16(11)10-12)18(23)22-15-5-1-4-14-13(15)3-2-8-20-14;1-10(11-2-4-13(18)5-3-11)20-17(22)16-9-12-8-14(19)6-7-15(12)21-16;1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;1-11(12-7-3-2-4-8-12)17-15(19)16-18-13-9-5-6-10-14(13)20-16;1-8(2)9(3)16-14(18)13-7-10-6-11(15)4-5-12(10)17-13/h1-11,21H,(H,22,23);3-11,20H,1-2H3,(H,21,22);1-10,21H,(H,22,23);2-10,21H,1H3,(H,20,22);7-12,20H,2-6H2,1H3,(H,19,21);2-11H,1H3,(H,17,19);4-9,17H,1-3H3,(H,16,18)/t;;;10-;;11-;/m...1.1./s1.
What are the key properties of 5-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide?
5-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide has a molecular weight of 2091.53 g/mol, XLogP of 29.71, 19 rotatable bonds, 13 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-N-(1-cyclohexylethyl)-1H-indole-2-carboxamide;5-chloro-N-(3-methylbutan-2-yl)-1H-indole-2-carboxamide;5-chloro-N-(2-phenylpropan-2-yl)-1H-indole-2-carboxamide;6-fluoro-N-naphthalen-1-yl-1H-indole-2-carboxamide;6-fluoro-N-quinolin-5-yl-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-1,3-benzoxazole-2-carboxamide is sourced from PubChem (CID 157234091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).