4-fluoro-N-[3-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethyl]-2-methyl-1H-indol-5-yl]benzamide

C24H24FN3O3 — CID 23290463

IUPAC4-fluoro-N-[3-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethyl]-2-methyl-1H-indol-5-yl]benzamide
SMILESCc1[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc2c1CCNCc1ccc(CO)o1
InChIInChI=1S/C24H24FN3O3/c1-15-21(10-11-26-13-19-7-8-20(14-29)31-19)22-12-18(6-9-23(22)27-15)28-24(30)16-2-4-17(25)5-3-16/h2-9,12,26-27,29H,10-11,13-14H2,1H3,(H,28,30)
InChIKeyLRVIUGWOYXKXHO-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.29
Rot. Bonds8

About 4-fluoro-N-[3-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethyl]-2-methyl-1H-indol-5-yl]benzamide

4-fluoro-N-[3-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethyl]-2-methyl-1H-indol-5-yl]benzamide (PubChem CID 23290463) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 4-fluoro-N-[3-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethyl]-2-methyl-1H-indol-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethyl]-2-methyl-1H-indol-5-yl]benzamide
PubChem CID23290463
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name4-fluoro-N-[3-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethyl]-2-methyl-1H-indol-5-yl]benzamide
SMILESCc1[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc2c1CCNCc1ccc(CO)o1
InChIInChI=1S/C24H24FN3O3/c1-15-21(10-11-26-13-19-7-8-20(14-29)31-19)22-12-18(6-9-23(22)27-15)28-24(30)16-2-4-17(25)5-3-16/h2-9,12,26-27,29H,10-11,13-14H2,1H3,(H,28,30)
InChIKeyLRVIUGWOYXKXHO-UHFFFAOYSA-N
XLogP4.29
TPSA90.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]-2,5-difluorobenzamide
CID 22611290
N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
CID 82494090
N-[(2,4-difluorophenyl)methyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 90485315
1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-phenylthiourea
CID 43952983
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 45497558
N-[(4-ethoxyphenyl)methyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
CID 45497560
2-(4-chlorophenyl)-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 113085910
methyl 3-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-5-carboxylate
CID 69324670
N-(3-fluorophenyl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 26579048
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
CID 31855827
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 113086186
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide
CID 113085879

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethyl]-2-methyl-1H-indol-5-yl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethyl]-2-methyl-1H-indol-5-yl]benzamide (CID 23290463) is 4-fluoro-N-[3-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethyl]-2-methyl-1H-indol-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethyl]-2-methyl-1H-indol-5-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethyl]-2-methyl-1H-indol-5-yl]benzamide is Cc1[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc2c1CCNCc1ccc(CO)o1.
What is the InChIKey of 4-fluoro-N-[3-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethyl]-2-methyl-1H-indol-5-yl]benzamide?
The InChIKey is LRVIUGWOYXKXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-15-21(10-11-26-13-19-7-8-20(14-29)31-19)22-12-18(6-9-23(22)27-15)28-24(30)16-2-4-17(25)5-3-16/h2-9,12,26-27,29H,10-11,13-14H2,1H3,(H,28,30).
What are the key properties of 4-fluoro-N-[3-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethyl]-2-methyl-1H-indol-5-yl]benzamide?
4-fluoro-N-[3-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethyl]-2-methyl-1H-indol-5-yl]benzamide has a molecular weight of 421.47 g/mol, XLogP of 4.29, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethyl]-2-methyl-1H-indol-5-yl]benzamide is sourced from PubChem (CID 23290463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).