(3S)-N-(furan-2-ylmethyl)-3-(4-methoxy-1H-indol-3-yl)-3-(2,3,4-trifluorophenyl)propanamide

C23H19F3N2O3 — CID 97266165

IUPAC(3S)-N-(furan-2-ylmethyl)-3-(4-methoxy-1H-indol-3-yl)-3-(2,3,4-trifluorophenyl)propanamide
SMILESCOc1cccc2[nH]cc([C@H](CC(=O)NCc3ccco3)c3ccc(F)c(F)c3F)c12
InChIInChI=1S/C23H19F3N2O3/c1-30-19-6-2-5-18-21(19)16(12-27-18)15(14-7-8-17(24)23(26)22(14)25)10-20(29)28-11-13-4-3-9-31-13/h2-9,12,15,27H,10-11H2,1H3,(H,28,29)/t15-/m1/s1
InChIKeyYLLQWECEAVUPPH-OAHLLOKOSA-N
MW428.41 g/mol
LogP5.03
Rot. Bonds7

About (3S)-N-(furan-2-ylmethyl)-3-(4-methoxy-1H-indol-3-yl)-3-(2,3,4-trifluorophenyl)propanamide

(3S)-N-(furan-2-ylmethyl)-3-(4-methoxy-1H-indol-3-yl)-3-(2,3,4-trifluorophenyl)propanamide (PubChem CID 97266165) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is (3S)-N-(furan-2-ylmethyl)-3-(4-methoxy-1H-indol-3-yl)-3-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name(3S)-N-(furan-2-ylmethyl)-3-(4-methoxy-1H-indol-3-yl)-3-(2,3,4-trifluorophenyl)propanamide
PubChem CID97266165
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC Name(3S)-N-(furan-2-ylmethyl)-3-(4-methoxy-1H-indol-3-yl)-3-(2,3,4-trifluorophenyl)propanamide
SMILESCOc1cccc2[nH]cc([C@H](CC(=O)NCc3ccco3)c3ccc(F)c(F)c3F)c12
InChIInChI=1S/C23H19F3N2O3/c1-30-19-6-2-5-18-21(19)16(12-27-18)15(14-7-8-17(24)23(26)22(14)25)10-20(29)28-11-13-4-3-9-31-13/h2-9,12,15,27H,10-11H2,1H3,(H,28,29)/t15-/m1/s1
InChIKeyYLLQWECEAVUPPH-OAHLLOKOSA-N
XLogP5.03
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-(furan-2-ylmethyl)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-methoxy-1H-indol-3-yl)propanamide
CID 97046148
2-(4-fluoro-1H-indol-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 110850476
(3R)-3-(4-methoxy-1H-indol-3-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenylpropanamide
CID 97266539
3-(5-chloro-1H-indol-3-yl)-N-(furan-2-ylmethyl)-3-(3-phenoxyphenyl)propanamide
CID 83278638
ethyl 5-[3-(furan-2-ylmethylamino)-3-oxo-1-(3,4,5-trimethoxyphenyl)propyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 91973616
N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 42782132
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
(1S)-1-(4-methoxy-1H-indol-3-yl)ethanol
CID 83173825
3-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 120525846
3-fluoro-4-methoxy-1H-indole
CID 162696038
2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 120523694
4-amino-N-(furan-2-ylmethyl)-3-methoxybutanamide
CID 103154043

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(furan-2-ylmethyl)-3-(4-methoxy-1H-indol-3-yl)-3-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of (3S)-N-(furan-2-ylmethyl)-3-(4-methoxy-1H-indol-3-yl)-3-(2,3,4-trifluorophenyl)propanamide (CID 97266165) is (3S)-N-(furan-2-ylmethyl)-3-(4-methoxy-1H-indol-3-yl)-3-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for (3S)-N-(furan-2-ylmethyl)-3-(4-methoxy-1H-indol-3-yl)-3-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for (3S)-N-(furan-2-ylmethyl)-3-(4-methoxy-1H-indol-3-yl)-3-(2,3,4-trifluorophenyl)propanamide is COc1cccc2[nH]cc([C@H](CC(=O)NCc3ccco3)c3ccc(F)c(F)c3F)c12.
What is the InChIKey of (3S)-N-(furan-2-ylmethyl)-3-(4-methoxy-1H-indol-3-yl)-3-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is YLLQWECEAVUPPH-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c1-30-19-6-2-5-18-21(19)16(12-27-18)15(14-7-8-17(24)23(26)22(14)25)10-20(29)28-11-13-4-3-9-31-13/h2-9,12,15,27H,10-11H2,1H3,(H,28,29)/t15-/m1/s1.
What are the key properties of (3S)-N-(furan-2-ylmethyl)-3-(4-methoxy-1H-indol-3-yl)-3-(2,3,4-trifluorophenyl)propanamide?
(3S)-N-(furan-2-ylmethyl)-3-(4-methoxy-1H-indol-3-yl)-3-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 428.41 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(furan-2-ylmethyl)-3-(4-methoxy-1H-indol-3-yl)-3-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 97266165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).