1-acetyl-N-(2-chloro-4,6-dimethylphenyl)-5-fluoroindole-3-carboxamide

C19H16ClFN2O2 — CID 113212446

IUPAC1-acetyl-N-(2-chloro-4,6-dimethylphenyl)-5-fluoroindole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)Nc2c(C)cc(C)cc2Cl)c2cc(F)ccc21
InChIInChI=1S/C19H16ClFN2O2/c1-10-6-11(2)18(16(20)7-10)22-19(25)15-9-23(12(3)24)17-5-4-13(21)8-14(15)17/h4-9H,1-3H3,(H,22,25)
InChIKeyMLTWCIQVZRFHTM-UHFFFAOYSA-N
MW358.80 g/mol
LogP4.96
Rot. Bonds2

About 1-acetyl-N-(2-chloro-4,6-dimethylphenyl)-5-fluoroindole-3-carboxamide

1-acetyl-N-(2-chloro-4,6-dimethylphenyl)-5-fluoroindole-3-carboxamide (PubChem CID 113212446) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is 1-acetyl-N-(2-chloro-4,6-dimethylphenyl)-5-fluoroindole-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2-chloro-4,6-dimethylphenyl)-5-fluoroindole-3-carboxamide
PubChem CID113212446
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC Name1-acetyl-N-(2-chloro-4,6-dimethylphenyl)-5-fluoroindole-3-carboxamide
SMILESCC(=O)n1cc(C(=O)Nc2c(C)cc(C)cc2Cl)c2cc(F)ccc21
InChIInChI=1S/C19H16ClFN2O2/c1-10-6-11(2)18(16(20)7-10)22-19(25)15-9-23(12(3)24)17-5-4-13(21)8-14(15)17/h4-9H,1-3H3,(H,22,25)
InChIKeyMLTWCIQVZRFHTM-UHFFFAOYSA-N
XLogP4.96
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(1-acetyl-5-fluoroindole-3-carbonyl)amino]-4-chlorobenzoate
CID 113212472
N-(2-chloro-4,6-dimethylphenyl)-6-fluoro-2-methylquinoline-4-carboxamide
CID 108789682
N-(4-acetamidophenyl)-1-acetyl-5-chloroindole-3-carboxamide
CID 113212650
1-acetyl-5-fluoro-N-(pyridin-4-ylmethyl)indole-3-carboxamide
CID 113212364
N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84550037
1-(5-fluoro-3-hydroxyindol-1-yl)ethanone
CID 54290533
N'-(2-chloro-4,6-dimethylphenyl)-N-(2,4-difluorophenyl)oxamide
CID 108532254
N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 110859405
2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 731571
N-(2-chloro-4,6-dimethylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2704735
2-(2-acetyl-4-fluorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 112774554
1-acetyl-5-methoxy-N-(2-methyl-6-propan-2-ylphenyl)indole-3-carboxamide
CID 113212789

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-chloro-4,6-dimethylphenyl)-5-fluoroindole-3-carboxamide?
The IUPAC name of 1-acetyl-N-(2-chloro-4,6-dimethylphenyl)-5-fluoroindole-3-carboxamide (CID 113212446) is 1-acetyl-N-(2-chloro-4,6-dimethylphenyl)-5-fluoroindole-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2-chloro-4,6-dimethylphenyl)-5-fluoroindole-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(2-chloro-4,6-dimethylphenyl)-5-fluoroindole-3-carboxamide is CC(=O)n1cc(C(=O)Nc2c(C)cc(C)cc2Cl)c2cc(F)ccc21.
What is the InChIKey of 1-acetyl-N-(2-chloro-4,6-dimethylphenyl)-5-fluoroindole-3-carboxamide?
The InChIKey is MLTWCIQVZRFHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c1-10-6-11(2)18(16(20)7-10)22-19(25)15-9-23(12(3)24)17-5-4-13(21)8-14(15)17/h4-9H,1-3H3,(H,22,25).
What are the key properties of 1-acetyl-N-(2-chloro-4,6-dimethylphenyl)-5-fluoroindole-3-carboxamide?
1-acetyl-N-(2-chloro-4,6-dimethylphenyl)-5-fluoroindole-3-carboxamide has a molecular weight of 358.80 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-chloro-4,6-dimethylphenyl)-5-fluoroindole-3-carboxamide is sourced from PubChem (CID 113212446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).