5-fluoro-6-phenylmethoxy-1H-indole;5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylic acid;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;methyl 5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylate

C86H76F5N7O11 — CID 159158854

IUPAC5-fluoro-6-phenylmethoxy-1H-indole;5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylic acid;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;methyl 5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylate
SMILESCN(C)C(=O)C(=O)c1c[nH]c2cc(OCc3ccccc3)c(F)cc12.CN(C)CCc1c[nH]c2cc(OCc3ccccc3)c(F)cc12.COC(=O)c1cc2cc(F)c(OCc3ccccc3)cc2[nH]1.Fc1cc2cc[nH]c2cc1OCc1ccccc1.O=C(O)c1cc2cc(F)c(OCc3ccccc3)cc2[nH]1
InChIInChI=1S/C19H17FN2O3.C19H21FN2O.C17H14FNO3.C16H12FNO3.C15H12FNO/c1-22(2)19(24)18(23)14-10-21-16-9-17(15(20)8-13(14)16)25-11-12-6-4-3-5-7-12;1-22(2)9-8-15-12-21-18-11-19(17(20)10-16(15)18)23-13-14-6-4-3-5-7-14;1-21-17(20)15-8-12-7-13(18)16(9-14(12)19-15)22-10-11-5-3-2-4-6-11;17-12-6-11-7-14(16(19)20)18-13(11)8-15(12)21-9-10-4-2-1-3-5-10;16-13-8-12-6-7-17-14(12)9-15(13)18-10-11-4-2-1-3-5-11/h3-10,21H,11H2,1-2H3;3-7,10-12,21H,8-9,13H2,1-2H3;2-9,19H,10H2,1H3;1-8,18H,9H2,(H,19,20);1-9,17H,10H2
InChIKeyKKFYIAQSGXHBIN-UHFFFAOYSA-N
MW1478.58 g/mol
LogP18.29
Rot. Bonds22

About 5-fluoro-6-phenylmethoxy-1H-indole;5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylic acid;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;methyl 5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylate

5-fluoro-6-phenylmethoxy-1H-indole;5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylic acid;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;methyl 5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylate (PubChem CID 159158854) has the molecular formula C86H76F5N7O11 and a molecular weight of 1478.58 g/mol. Its IUPAC name is 5-fluoro-6-phenylmethoxy-1H-indole;5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylic acid;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;methyl 5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Name5-fluoro-6-phenylmethoxy-1H-indole;5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylic acid;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;methyl 5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylate
PubChem CID159158854
Molecular FormulaC86H76F5N7O11
Molecular Weight1478.58 g/mol
Exact Mass1477.55
IUPAC Name5-fluoro-6-phenylmethoxy-1H-indole;5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylic acid;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;methyl 5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylate
SMILESCN(C)C(=O)C(=O)c1c[nH]c2cc(OCc3ccccc3)c(F)cc12.CN(C)CCc1c[nH]c2cc(OCc3ccccc3)c(F)cc12.COC(=O)c1cc2cc(F)c(OCc3ccccc3)cc2[nH]1.Fc1cc2cc[nH]c2cc1OCc1ccccc1.O=C(O)c1cc2cc(F)c(OCc3ccccc3)cc2[nH]1
InChIInChI=1S/C19H17FN2O3.C19H21FN2O.C17H14FNO3.C16H12FNO3.C15H12FNO/c1-22(2)19(24)18(23)14-10-21-16-9-17(15(20)8-13(14)16)25-11-12-6-4-3-5-7-12;1-22(2)9-8-15-12-21-18-11-19(17(20)10-16(15)18)23-13-14-6-4-3-5-7-14;1-21-17(20)15-8-12-7-13(18)16(9-14(12)19-15)22-10-11-5-3-2-4-6-11;17-12-6-11-7-14(16(19)20)18-13(11)8-15(12)21-9-10-4-2-1-3-5-10;16-13-8-12-6-7-17-14(12)9-15(13)18-10-11-4-2-1-3-5-11/h3-10,21H,11H2,1-2H3;3-7,10-12,21H,8-9,13H2,1-2H3;2-9,19H,10H2,1H3;1-8,18H,9H2,(H,19,20);1-9,17H,10H2
InChIKeyKKFYIAQSGXHBIN-UHFFFAOYSA-N
XLogP18.29
TPSA229.32 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001478.58
LogP ≤ 518.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5-fluoro-6-phenylmethoxy-1H-indole;5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylic acid;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;methyl 5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylate with MolForge

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Related Compounds

(2S)-2-[[4-[[4-[2-[2-[2-[2-[[4-[4-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-4-oxo-butanoyl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxo-butanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 129908993
(14S,17S,23S,26S,29S,32S,35S,38S,41R)-32-fluoro-35,38-bis[(5-fluoro-1H-indol-3-yl)methyl]-26-[(1R)-1-hydroxyethyl]-23-[(4-methoxyphenyl)methyl]-17,41-dimethyl-16,22,25,28,34,37,40,43-octaoxo-7,15,21,24,27,33,36,39,42-nonazahexacyclo[42.2.2.22,5.29,12.017,21.029,33]dopentaconta-1(47),2(52),3,5(51),9,11,44(48),45,49-nonaene-14-carboxamide
CID 158274436
(10S,13S,19S,22R,25S,27S,31S,34S,37R)-27-fluoro-31,34-bis[(5-fluoro-1H-indol-3-yl)methyl]-22-[(1S)-1-hydroxyethyl]-19-[(4-methoxyphenyl)methyl]-13,37-dimethyl-4,12,18,21,24,30,33,36,39-nonaoxo-3,11,17,20,23,29,32,35,38-nonazapentacyclo[39.2.2.25,8.013,17.025,29]heptatetraconta-1(44),5,7,41(45),42,46-hexaene-10-carboxamide
CID 166611963
(2S)-3-(1H-indol-3-yl)-2-[[2-[4-[(E)-3-(1H-indol-3-yl)-3-oxoprop-1-enyl]phenoxy]acetyl]amino]propanoic acid
CID 53326051
(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[[(2S)-1-[4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-3-(4-methoxyphenyl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 162652709
(2S)-2-[[4-[[(2S)-2-[[4-[2-[[4-[[(2S)-1-[4-[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]-3-[2-(1H-indol-3-yl)ethoxy]anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethylamino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methylpentanoic acid
CID 162655894
(3S)-3-[[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[4-[[(2S)-3-carboxy-1-[4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoyl]amino]-4-[4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-4-oxobutanoic acid
CID 162662277
(2S)-2-[[4-[[(2S)-2-[[4-[2-[2-[[4-[[(1S)-2-[4-[[(1S)-1-carboxy-3-methyl-butyl]carbamoyl]-2-[2-(1H-indol-3-yl)ethoxy]anilino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoyl]amino]ethoxy]ethylamino]-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methyl-pentanoic acid
CID 162669729
5-(6-fluoro-1H-indol-4-yl)-3-[6-methoxy-1-[2-(3-methoxypropanoylamino)ethyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350075
3-[1-[2-(butanoylamino)ethyl]-6-methoxyindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350077
5-(6-fluoro-1H-indol-4-yl)-3-[6-(3-methylbutoxy)-1H-indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350083
3-(6-cyclopentyloxy-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350098

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-phenylmethoxy-1H-indole;5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylic acid;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;methyl 5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylate?
The IUPAC name of 5-fluoro-6-phenylmethoxy-1H-indole;5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylic acid;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;methyl 5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylate (CID 159158854) is 5-fluoro-6-phenylmethoxy-1H-indole;5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylic acid;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;methyl 5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylate.
What is the SMILES notation for 5-fluoro-6-phenylmethoxy-1H-indole;5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylic acid;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;methyl 5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylate?
The canonical SMILES for 5-fluoro-6-phenylmethoxy-1H-indole;5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylic acid;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;methyl 5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylate is CN(C)C(=O)C(=O)c1c[nH]c2cc(OCc3ccccc3)c(F)cc12.CN(C)CCc1c[nH]c2cc(OCc3ccccc3)c(F)cc12.COC(=O)c1cc2cc(F)c(OCc3ccccc3)cc2[nH]1.Fc1cc2cc[nH]c2cc1OCc1ccccc1.O=C(O)c1cc2cc(F)c(OCc3ccccc3)cc2[nH]1.
What is the InChIKey of 5-fluoro-6-phenylmethoxy-1H-indole;5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylic acid;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;methyl 5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylate?
The InChIKey is KKFYIAQSGXHBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3.C19H21FN2O.C17H14FNO3.C16H12FNO3.C15H12FNO/c1-22(2)19(24)18(23)14-10-21-16-9-17(15(20)8-13(14)16)25-11-12-6-4-3-5-7-12;1-22(2)9-8-15-12-21-18-11-19(17(20)10-16(15)18)23-13-14-6-4-3-5-7-14;1-21-17(20)15-8-12-7-13(18)16(9-14(12)19-15)22-10-11-5-3-2-4-6-11;17-12-6-11-7-14(16(19)20)18-13(11)8-15(12)21-9-10-4-2-1-3-5-10;16-13-8-12-6-7-17-14(12)9-15(13)18-10-11-4-2-1-3-5-11/h3-10,21H,11H2,1-2H3;3-7,10-12,21H,8-9,13H2,1-2H3;2-9,19H,10H2,1H3;1-8,18H,9H2,(H,19,20);1-9,17H,10H2.
What are the key properties of 5-fluoro-6-phenylmethoxy-1H-indole;5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylic acid;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;methyl 5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylate?
5-fluoro-6-phenylmethoxy-1H-indole;5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylic acid;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;methyl 5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylate has a molecular weight of 1478.58 g/mol, XLogP of 18.29, 22 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-phenylmethoxy-1H-indole;5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylic acid;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;methyl 5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 159158854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).