N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]-2,5-difluorobenzamide

C20H21F2N3O — CID 22611290

IUPACN-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]-2,5-difluorobenzamide
SMILESCc1[nH]c2ccc(NC(=O)c3cc(F)ccc3F)cc2c1CCN(C)C
InChIInChI=1S/C20H21F2N3O/c1-12-15(8-9-25(2)3)16-11-14(5-7-19(16)23-12)24-20(26)17-10-13(21)4-6-18(17)22/h4-7,10-11,23H,8-9H2,1-3H3,(H,24,26)
InChIKeyJHRDRJJVBFWXJI-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.11
Rot. Bonds5

About N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]-2,5-difluorobenzamide

N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]-2,5-difluorobenzamide (PubChem CID 22611290) has the molecular formula C20H21F2N3O and a molecular weight of 357.40 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]-2,5-difluorobenzamide
PubChem CID22611290
Molecular FormulaC20H21F2N3O
Molecular Weight357.40 g/mol
Exact Mass357.17
IUPAC NameN-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]-2,5-difluorobenzamide
SMILESCc1[nH]c2ccc(NC(=O)c3cc(F)ccc3F)cc2c1CCN(C)C
InChIInChI=1S/C20H21F2N3O/c1-12-15(8-9-25(2)3)16-11-14(5-7-19(16)23-12)24-20(26)17-10-13(21)4-6-18(17)22/h4-7,10-11,23H,8-9H2,1-3H3,(H,24,26)
InChIKeyJHRDRJJVBFWXJI-UHFFFAOYSA-N
XLogP4.11
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[3-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]ethyl]-2-methyl-1H-indol-5-yl]benzamide
CID 23290463
2-(2,5-difluoro-1H-indol-3-yl)-N,N-dimethylethanamine
CID 164763836
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide
CID 31968622
5-(dimethylsulfamoyl)-2-fluoro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide
CID 118694956
2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793823
2-(4-chlorophenyl)-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 113085910
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
CID 31855827
2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352
N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide
CID 115661483
N-[2-(dimethylamino)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 16673637
N-[4-[acetyl(methyl)amino]phenyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 86857821
2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24573056

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]-2,5-difluorobenzamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]-2,5-difluorobenzamide (CID 22611290) is N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]-2,5-difluorobenzamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]-2,5-difluorobenzamide is Cc1[nH]c2ccc(NC(=O)c3cc(F)ccc3F)cc2c1CCN(C)C.
What is the InChIKey of N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]-2,5-difluorobenzamide?
The InChIKey is JHRDRJJVBFWXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O/c1-12-15(8-9-25(2)3)16-11-14(5-7-19(16)23-12)24-20(26)17-10-13(21)4-6-18(17)22/h4-7,10-11,23H,8-9H2,1-3H3,(H,24,26).
What are the key properties of N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]-2,5-difluorobenzamide?
N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]-2,5-difluorobenzamide has a molecular weight of 357.40 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethyl]-2-methyl-1H-indol-5-yl]-2,5-difluorobenzamide is sourced from PubChem (CID 22611290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).