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

C23H21ClN2O4 — CID 55364664

IUPAC5-chloro-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(Cl)o2)c2c[nH]c3ccccc23)c1OC
InChIInChI=1S/C23H21ClN2O4/c1-28-19-9-5-7-15(22(19)29-2)17(13-26-23(27)20-10-11-21(24)30-20)16-12-25-18-8-4-3-6-14(16)18/h3-12,17,25H,13H2,1-2H3,(H,26,27)
InChIKeyXQVILTQPDXWIBM-UHFFFAOYSA-N
MW424.88 g/mol
LogP4.99
Rot. Bonds7

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

5-chloro-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide (PubChem CID 55364664) has the molecular formula C23H21ClN2O4 and a molecular weight of 424.88 g/mol. Its IUPAC name is 5-chloro-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
PubChem CID55364664
Molecular FormulaC23H21ClN2O4
Molecular Weight424.88 g/mol
Exact Mass424.12
IUPAC Name5-chloro-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(Cl)o2)c2c[nH]c3ccccc23)c1OC
InChIInChI=1S/C23H21ClN2O4/c1-28-19-9-5-7-15(22(19)29-2)17(13-26-23(27)20-10-11-21(24)30-20)16-12-25-18-8-4-3-6-14(16)18/h3-12,17,25H,13H2,1-2H3,(H,26,27)
InChIKeyXQVILTQPDXWIBM-UHFFFAOYSA-N
XLogP4.99
TPSA76.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 55365621
5-chloro-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-fluorobenzamide
CID 55413647
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1H-indazole-3-carboxamide
CID 60589031
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 42909131
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-5-fluoro-2-methoxybenzamide
CID 55512740
2-(3-chlorophenoxy)-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]acetamide
CID 55344788
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119681775
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]pentanamide
CID 43003960
2-amino-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983696
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]cyclopentanecarboxamide
CID 51158225
3-cyclopropyl-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide
CID 56546466
N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 46429772

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide (CID 55364664) is 5-chloro-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide is COc1cccc(C(CNC(=O)c2ccc(Cl)o2)c2c[nH]c3ccccc23)c1OC.
What is the InChIKey of 5-chloro-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide?
The InChIKey is XQVILTQPDXWIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4/c1-28-19-9-5-7-15(22(19)29-2)17(13-26-23(27)20-10-11-21(24)30-20)16-12-25-18-8-4-3-6-14(16)18/h3-12,17,25H,13H2,1-2H3,(H,26,27).
What are the key properties of 5-chloro-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide?
5-chloro-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide has a molecular weight of 424.88 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 55364664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).