2-(4-fluorophenyl)-1H-indole-4-carboxamide;2-(4-phenylphenyl)-1H-indole-4-carboxamide;2-(4-propan-2-ylphenyl)-1H-indole-4-carboxamide;2-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide

C70H56F4N8O4 — CID 159323607

IUPAC2-(4-fluorophenyl)-1H-indole-4-carboxamide;2-(4-phenylphenyl)-1H-indole-4-carboxamide;2-(4-propan-2-ylphenyl)-1H-indole-4-carboxamide;2-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide
SMILESCC(C)c1ccc(-c2cc3c(C(N)=O)cccc3[nH]2)cc1.NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3)cc12.NC(=O)c1cccc2[nH]c(-c3ccc(C(F)(F)F)cc3)cc12.NC(=O)c1cccc2[nH]c(-c3ccc(F)cc3)cc12
InChIInChI=1S/C21H16N2O.C18H18N2O.C16H11F3N2O.C15H11FN2O/c22-21(24)17-7-4-8-19-18(17)13-20(23-19)16-11-9-15(10-12-16)14-5-2-1-3-6-14;1-11(2)12-6-8-13(9-7-12)17-10-15-14(18(19)21)4-3-5-16(15)20-17;17-16(18,19)10-6-4-9(5-7-10)14-8-12-11(15(20)22)2-1-3-13(12)21-14;16-10-6-4-9(5-7-10)14-8-12-11(15(17)19)2-1-3-13(12)18-14/h1-13,23H,(H2,22,24);3-11,20H,1-2H3,(H2,19,21);1-8,21H,(H2,20,22);1-8,18H,(H2,17,19)
InChIKeyLEBRUOIGPJHUJF-UHFFFAOYSA-N
MW1149.26 g/mol
LogP15.68
Rot. Bonds10

About 2-(4-fluorophenyl)-1H-indole-4-carboxamide;2-(4-phenylphenyl)-1H-indole-4-carboxamide;2-(4-propan-2-ylphenyl)-1H-indole-4-carboxamide;2-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide

2-(4-fluorophenyl)-1H-indole-4-carboxamide;2-(4-phenylphenyl)-1H-indole-4-carboxamide;2-(4-propan-2-ylphenyl)-1H-indole-4-carboxamide;2-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide (PubChem CID 159323607) has the molecular formula C70H56F4N8O4 and a molecular weight of 1149.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1H-indole-4-carboxamide;2-(4-phenylphenyl)-1H-indole-4-carboxamide;2-(4-propan-2-ylphenyl)-1H-indole-4-carboxamide;2-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1H-indole-4-carboxamide;2-(4-phenylphenyl)-1H-indole-4-carboxamide;2-(4-propan-2-ylphenyl)-1H-indole-4-carboxamide;2-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide
PubChem CID159323607
Molecular FormulaC70H56F4N8O4
Molecular Weight1149.26 g/mol
Exact Mass1148.44
IUPAC Name2-(4-fluorophenyl)-1H-indole-4-carboxamide;2-(4-phenylphenyl)-1H-indole-4-carboxamide;2-(4-propan-2-ylphenyl)-1H-indole-4-carboxamide;2-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide
SMILESCC(C)c1ccc(-c2cc3c(C(N)=O)cccc3[nH]2)cc1.NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3)cc12.NC(=O)c1cccc2[nH]c(-c3ccc(C(F)(F)F)cc3)cc12.NC(=O)c1cccc2[nH]c(-c3ccc(F)cc3)cc12
InChIInChI=1S/C21H16N2O.C18H18N2O.C16H11F3N2O.C15H11FN2O/c22-21(24)17-7-4-8-19-18(17)13-20(23-19)16-11-9-15(10-12-16)14-5-2-1-3-6-14;1-11(2)12-6-8-13(9-7-12)17-10-15-14(18(19)21)4-3-5-16(15)20-17;17-16(18,19)10-6-4-9(5-7-10)14-8-12-11(15(20)22)2-1-3-13(12)21-14;16-10-6-4-9(5-7-10)14-8-12-11(15(17)19)2-1-3-13(12)18-14/h1-13,23H,(H2,22,24);3-11,20H,1-2H3,(H2,19,21);1-8,21H,(H2,20,22);1-8,18H,(H2,17,19)
InChIKeyLEBRUOIGPJHUJF-UHFFFAOYSA-N
XLogP15.68
TPSA235.52 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001149.26
LogP ≤ 515.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[4-[4-aminobutyl(3-aminopropyl)amino]butyl]-4-[11,20,29-tris[4-[4-[4-aminobutyl(3-aminopropyl)amino]butylcarbamoyl]phenyl]-37,38,39,40-tetrazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,31,33,35-nonadecaen-2-yl]benzamide
CID 46225946
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CID 46225947
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CID 87802060

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1H-indole-4-carboxamide;2-(4-phenylphenyl)-1H-indole-4-carboxamide;2-(4-propan-2-ylphenyl)-1H-indole-4-carboxamide;2-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-1H-indole-4-carboxamide;2-(4-phenylphenyl)-1H-indole-4-carboxamide;2-(4-propan-2-ylphenyl)-1H-indole-4-carboxamide;2-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide (CID 159323607) is 2-(4-fluorophenyl)-1H-indole-4-carboxamide;2-(4-phenylphenyl)-1H-indole-4-carboxamide;2-(4-propan-2-ylphenyl)-1H-indole-4-carboxamide;2-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-1H-indole-4-carboxamide;2-(4-phenylphenyl)-1H-indole-4-carboxamide;2-(4-propan-2-ylphenyl)-1H-indole-4-carboxamide;2-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-1H-indole-4-carboxamide;2-(4-phenylphenyl)-1H-indole-4-carboxamide;2-(4-propan-2-ylphenyl)-1H-indole-4-carboxamide;2-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide is CC(C)c1ccc(-c2cc3c(C(N)=O)cccc3[nH]2)cc1.NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3)cc12.NC(=O)c1cccc2[nH]c(-c3ccc(C(F)(F)F)cc3)cc12.NC(=O)c1cccc2[nH]c(-c3ccc(F)cc3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-1H-indole-4-carboxamide;2-(4-phenylphenyl)-1H-indole-4-carboxamide;2-(4-propan-2-ylphenyl)-1H-indole-4-carboxamide;2-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide?
The InChIKey is LEBRUOIGPJHUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O.C18H18N2O.C16H11F3N2O.C15H11FN2O/c22-21(24)17-7-4-8-19-18(17)13-20(23-19)16-11-9-15(10-12-16)14-5-2-1-3-6-14;1-11(2)12-6-8-13(9-7-12)17-10-15-14(18(19)21)4-3-5-16(15)20-17;17-16(18,19)10-6-4-9(5-7-10)14-8-12-11(15(20)22)2-1-3-13(12)21-14;16-10-6-4-9(5-7-10)14-8-12-11(15(17)19)2-1-3-13(12)18-14/h1-13,23H,(H2,22,24);3-11,20H,1-2H3,(H2,19,21);1-8,21H,(H2,20,22);1-8,18H,(H2,17,19).
What are the key properties of 2-(4-fluorophenyl)-1H-indole-4-carboxamide;2-(4-phenylphenyl)-1H-indole-4-carboxamide;2-(4-propan-2-ylphenyl)-1H-indole-4-carboxamide;2-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide?
2-(4-fluorophenyl)-1H-indole-4-carboxamide;2-(4-phenylphenyl)-1H-indole-4-carboxamide;2-(4-propan-2-ylphenyl)-1H-indole-4-carboxamide;2-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide has a molecular weight of 1149.26 g/mol, XLogP of 15.68, 10 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1H-indole-4-carboxamide;2-(4-phenylphenyl)-1H-indole-4-carboxamide;2-(4-propan-2-ylphenyl)-1H-indole-4-carboxamide;2-[4-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 159323607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).