N-[(1R,2S)-1-[1-(4-fluorophenyl)indol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]furan-2-carboxamide

C29H25FN2O4 — CID 143701139

About N-[(1R,2S)-1-[1-(4-fluorophenyl)indol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]furan-2-carboxamide

N-[(1R,2S)-1-[1-(4-fluorophenyl)indol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]furan-2-carboxamide (PubChem CID 143701139) has the molecular formula C29H25FN2O4 and a molecular weight of 484.53 g/mol. Its IUPAC name is N-[(1R,2S)-1-[1-(4-fluorophenyl)indol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2S)-1-[1-(4-fluorophenyl)indol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]furan-2-carboxamide
• PubChem CID: 143701139
• Molecular Formula: C29H25FN2O4
• Molecular Weight: 484.53 g/mol
• Exact Mass: 484.18
• IUPAC Name: N-[(1R,2S)-1-[1-(4-fluorophenyl)indol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]furan-2-carboxamide
• SMILES: COc1cccc([C@@H](Oc2ccc3c(ccn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)c2ccco2)c1
• InChI: InChI=1S/C29H25FN2O4/c1-19(31-29(33)27-7-4-16-35-27)28(21-5-3-6-24(18-21)34-2)36-25-12-13-26-20(17-25)14-15-32(26)23-10-8-22(30)9-11-23/h3-19,28H,1-2H3,(H,31,33)/t19-,28-/m0/s1
• InChIKey: MKKFBIBYTMRBQM-VKGTZQKMSA-N
• XLogP: 6.31
• TPSA: 65.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.53
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-[1-(4-fluorophenyl)indol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]furan-2-carboxamide?

The IUPAC name of N-[(1R,2S)-1-[1-(4-fluorophenyl)indol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]furan-2-carboxamide (CID 143701139) is N-[(1R,2S)-1-[1-(4-fluorophenyl)indol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[(1R,2S)-1-[1-(4-fluorophenyl)indol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[(1R,2S)-1-[1-(4-fluorophenyl)indol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]furan-2-carboxamide is COc1cccc([C@@H](Oc2ccc3c(ccn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)c2ccco2)c1.

What is the InChIKey of N-[(1R,2S)-1-[1-(4-fluorophenyl)indol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]furan-2-carboxamide?

The InChIKey is MKKFBIBYTMRBQM-VKGTZQKMSA-N. The full InChI is InChI=1S/C29H25FN2O4/c1-19(31-29(33)27-7-4-16-35-27)28(21-5-3-6-24(18-21)34-2)36-25-12-13-26-20(17-25)14-15-32(26)23-10-8-22(30)9-11-23/h3-19,28H,1-2H3,(H,31,33)/t19-,28-/m0/s1.

What are the key properties of N-[(1R,2S)-1-[1-(4-fluorophenyl)indol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]furan-2-carboxamide?

N-[(1R,2S)-1-[1-(4-fluorophenyl)indol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]furan-2-carboxamide has a molecular weight of 484.53 g/mol, XLogP of 6.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2S)-1-[1-(4-fluorophenyl)indol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 143701139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).