2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide

C19H19FN2O — CID 110768837

IUPAC2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1c(CC(=O)NCc2ccc(F)cc2)c2ccccc2n1C
InChIInChI=1S/C19H19FN2O/c1-13-17(16-5-3-4-6-18(16)22(13)2)11-19(23)21-12-14-7-9-15(20)10-8-14/h3-10H,11-12H2,1-2H3,(H,21,23)
InChIKeySRQMUGQZDQJZCD-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.48
Rot. Bonds4

About 2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide

2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 110768837) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID110768837
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCc1c(CC(=O)NCc2ccc(F)cc2)c2ccccc2n1C
InChIInChI=1S/C19H19FN2O/c1-13-17(16-5-3-4-6-18(16)22(13)2)11-19(23)21-12-14-7-9-15(20)10-8-14/h3-10H,11-12H2,1-2H3,(H,21,23)
InChIKeySRQMUGQZDQJZCD-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
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

2-(1,2-dimethylindol-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113211396
2-(1,2-dimethylindol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110768838
N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 3632445
N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 110789127
N-(4-acetamidophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
CID 110768882
2-(1,2-dimethylindol-3-yl)acetamide
CID 67627690
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 54697635
2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 110768844
N-(2-bromophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
CID 113211482
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185
N-(3,5-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)acetamide
CID 113211498
N-[2-(1,2-dimethylindol-3-yl)ethyl]-2-fluorobenzamide
CID 113085569

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 110768837) is 2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is Cc1c(CC(=O)NCc2ccc(F)cc2)c2ccccc2n1C.
What is the InChIKey of 2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is SRQMUGQZDQJZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c1-13-17(16-5-3-4-6-18(16)22(13)2)11-19(23)21-12-14-7-9-15(20)10-8-14/h3-10H,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 310.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylindol-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 110768837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).