N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide

C22H20N2O2 — CID 17449245

IUPACN-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H20N2O2/c1-15-11-12-26-21(15)22(25)24-13-18(16-7-3-2-4-8-16)19-14-23-20-10-6-5-9-17(19)20/h2-12,14,18,23H,13H2,1H3,(H,24,25)
InChIKeyFWDXGGKFYRYPKB-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.63
Rot. Bonds5

About N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide

N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide (PubChem CID 17449245) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide
PubChem CID17449245
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NCC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H20N2O2/c1-15-11-12-26-21(15)22(25)24-13-18(16-7-3-2-4-8-16)19-14-23-20-10-6-5-9-17(19)20/h2-12,14,18,23H,13H2,1H3,(H,24,25)
InChIKeyFWDXGGKFYRYPKB-UHFFFAOYSA-N
XLogP4.63
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide
CID 35180736
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51154964
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylpyrimidine-4-carboxamide
CID 52536064
2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46553423
2-bromo-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 17014637
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 8019643
2-bromo-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 26243574
3-[(3-methylfuran-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62883833
4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 2489680
N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 43004909
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 2459996

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide (CID 17449245) is N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NCC(c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide?
The InChIKey is FWDXGGKFYRYPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-15-11-12-26-21(15)22(25)24-13-18(16-7-3-2-4-8-16)19-14-23-20-10-6-5-9-17(19)20/h2-12,14,18,23H,13H2,1H3,(H,24,25).
What are the key properties of N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide?
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 17449245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).