N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide

C19H19FN2O — CID 113085569

IUPACN-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide
SMILESCc1c(CCNC(=O)c2ccccc2F)c2ccccc2n1C
InChIInChI=1S/C19H19FN2O/c1-13-14(15-7-4-6-10-18(15)22(13)2)11-12-21-19(23)16-8-3-5-9-17(16)20/h3-10H,11-12H2,1-2H3,(H,21,23)
InChIKeyKFGYDOJLGRMEDA-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.60
Rot. Bonds4

About N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide

N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide (PubChem CID 113085569) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide
PubChem CID113085569
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC NameN-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide
SMILESCc1c(CCNC(=O)c2ccccc2F)c2ccccc2n1C
InChIInChI=1S/C19H19FN2O/c1-13-14(15-7-4-6-10-18(15)22(13)2)11-12-21-19(23)16-8-3-5-9-17(16)20/h3-10H,11-12H2,1-2H3,(H,21,23)
InChIKeyKFGYDOJLGRMEDA-UHFFFAOYSA-N
XLogP3.60
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 110789127
2-(1,2-dimethylindol-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113211396
1-acetyl-N-[2-(1,2-dimethylindol-3-yl)ethyl]piperidine-4-carboxamide
CID 110795645
2-fluoro-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 21234303
2-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide
CID 110396250
2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 110768844
N-[2-(2-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 40718604
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
N-[(1,2-dimethylindol-3-yl)methyl]-2,2-dimethylpropanamide
CID 110782396
2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
CID 110716746
2-fluoro-N-[2-(5-hydroxy-1-methylindol-3-yl)ethyl]benzamide
CID 84579411
N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide
CID 47337929

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide (CID 113085569) is N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide is Cc1c(CCNC(=O)c2ccccc2F)c2ccccc2n1C.
What is the InChIKey of N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide?
The InChIKey is KFGYDOJLGRMEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-13-14(15-7-4-6-10-18(15)22(13)2)11-12-21-19(23)16-8-3-5-9-17(16)20/h3-10H,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide?
N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide has a molecular weight of 310.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 113085569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).