5-chloro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide

C22H19ClN2O3 — CID 55365621

IUPAC5-chloro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(Cl)o2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H19ClN2O3/c1-27-15-8-6-14(7-9-15)17(12-25-22(26)20-10-11-21(23)28-20)18-13-24-19-5-3-2-4-16(18)19/h2-11,13,17,24H,12H2,1H3,(H,25,26)
InChIKeySVQXZADFWHQZTI-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.98
Rot. Bonds6

About 5-chloro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide

5-chloro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide (PubChem CID 55365621) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is 5-chloro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
PubChem CID55365621
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name5-chloro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2ccc(Cl)o2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H19ClN2O3/c1-27-15-8-6-14(7-9-15)17(12-25-22(26)20-10-11-21(23)28-20)18-13-24-19-5-3-2-4-16(18)19/h2-11,13,17,24H,12H2,1H3,(H,25,26)
InChIKeySVQXZADFWHQZTI-UHFFFAOYSA-N
XLogP4.98
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 2459996
N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35124184
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 35128972
5-chloro-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 55364664
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 17014418
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 43017319
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 60521295
2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014563
3-fluoro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide
CID 43003893

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide (CID 55365621) is 5-chloro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide is COc1ccc(C(CNC(=O)c2ccc(Cl)o2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 5-chloro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide?
The InChIKey is SVQXZADFWHQZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c1-27-15-8-6-14(7-9-15)17(12-25-22(26)20-10-11-21(23)28-20)18-13-24-19-5-3-2-4-16(18)19/h2-11,13,17,24H,12H2,1H3,(H,25,26).
What are the key properties of 5-chloro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide?
5-chloro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 55365621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).