1-acetamido-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide

C18H15ClF2N2O2 — CID 135337059

IUPAC1-acetamido-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide
SMILESCC(=O)NC1CCc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c21
InChIInChI=1S/C18H15ClF2N2O2/c1-9(24)22-16-7-4-11-12(3-6-15(21)17(11)16)18(25)23-10-2-5-14(20)13(19)8-10/h2-3,5-6,8,16H,4,7H2,1H3,(H,22,24)(H,23,25)
InChIKeyUIFOBAYKZFSSCJ-UHFFFAOYSA-N
MW364.78 g/mol
LogP3.99
Rot. Bonds3

About 1-acetamido-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide

1-acetamido-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide (PubChem CID 135337059) has the molecular formula C18H15ClF2N2O2 and a molecular weight of 364.78 g/mol. Its IUPAC name is 1-acetamido-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide
PubChem CID135337059
Molecular FormulaC18H15ClF2N2O2
Molecular Weight364.78 g/mol
Exact Mass364.08
IUPAC Name1-acetamido-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide
SMILESCC(=O)NC1CCc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c21
InChIInChI=1S/C18H15ClF2N2O2/c1-9(24)22-16-7-4-11-12(3-6-15(21)17(11)16)18(25)23-10-2-5-14(20)13(19)8-10/h2-3,5-6,8,16H,4,7H2,1H3,(H,22,24)(H,23,25)
InChIKeyUIFOBAYKZFSSCJ-UHFFFAOYSA-N
XLogP3.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.78
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide?
The IUPAC name of 1-acetamido-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide (CID 135337059) is 1-acetamido-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide.
What is the SMILES notation for 1-acetamido-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide?
The canonical SMILES for 1-acetamido-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide is CC(=O)NC1CCc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c21.
What is the InChIKey of 1-acetamido-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide?
The InChIKey is UIFOBAYKZFSSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N2O2/c1-9(24)22-16-7-4-11-12(3-6-15(21)17(11)16)18(25)23-10-2-5-14(20)13(19)8-10/h2-3,5-6,8,16H,4,7H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 1-acetamido-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide?
1-acetamido-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide has a molecular weight of 364.78 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide is sourced from PubChem (CID 135337059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).