1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide

C19H18F2N2O2 — CID 24532068

IUPAC1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NC(C)c3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C19H18F2N2O2/c1-11(13-3-5-16(20)17(21)10-13)22-19(25)15-4-6-18-14(9-15)7-8-23(18)12(2)24/h3-6,9-11H,7-8H2,1-2H3,(H,22,25)
InChIKeyZHFYQTKQVKUNCF-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.36
Rot. Bonds3

About 1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 24532068) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
PubChem CID24532068
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)NC(C)c3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C19H18F2N2O2/c1-11(13-3-5-16(20)17(21)10-13)22-19(25)15-4-6-18-14(9-15)7-8-23(18)12(2)24/h3-6,9-11H,7-8H2,1-2H3,(H,22,25)
InChIKeyZHFYQTKQVKUNCF-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-[1-(3-bromophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 55577789
1-acetyl-N-[1-(4-chlorophenyl)propyl]-2,3-dihydroindole-5-carboxamide
CID 55497593
N-[1-(1-benzoyl-2,3-dihydroindol-5-yl)ethyl]-4-fluorobenzamide
CID 175217591
1-acetyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 30886490
3-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119218926
1-acetyl-N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-2,3-dihydroindole-5-carboxamide
CID 60580165
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213221
1-acetyl-N-(1-amino-4-methylpentan-2-yl)-2,3-dihydroindole-5-carboxamide
CID 119260893
1-acetyl-N-[(4-chloro-3-fluorophenyl)-(2H-tetrazol-5-yl)methyl]-2,3-dihydroindole-5-carboxamide
CID 86796507
1-acetyl-N-(2-methyl-1-thiophen-2-ylpropyl)-2,3-dihydroindole-5-carboxamide
CID 51266884
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide
CID 27798069
3-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 45342349

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide (CID 24532068) is 1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)NC(C)c3ccc(F)c(F)c3)ccc21.
What is the InChIKey of 1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is ZHFYQTKQVKUNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-11(13-3-5-16(20)17(21)10-13)22-19(25)15-4-6-18-14(9-15)7-8-23(18)12(2)24/h3-6,9-11H,7-8H2,1-2H3,(H,22,25).
What are the key properties of 1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 24532068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).