2-[5-chloro-3-(2-fluorophenyl)-2-methylindol-1-yl]acetamide

C17H14ClFN2O — CID 21484734

IUPAC2-[5-chloro-3-(2-fluorophenyl)-2-methylindol-1-yl]acetamide
SMILESCc1c(-c2ccccc2F)c2cc(Cl)ccc2n1CC(N)=O
InChIInChI=1S/C17H14ClFN2O/c1-10-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)21(10)9-16(20)22/h2-8H,9H2,1H3,(H2,20,22)
InChIKeyDFMUIXGDPXLVJR-UHFFFAOYSA-N
MW316.76 g/mol
LogP3.89
Rot. Bonds3

About 2-[5-chloro-3-(2-fluorophenyl)-2-methylindol-1-yl]acetamide

2-[5-chloro-3-(2-fluorophenyl)-2-methylindol-1-yl]acetamide (PubChem CID 21484734) has the molecular formula C17H14ClFN2O and a molecular weight of 316.76 g/mol. Its IUPAC name is 2-[5-chloro-3-(2-fluorophenyl)-2-methylindol-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-chloro-3-(2-fluorophenyl)-2-methylindol-1-yl]acetamide
PubChem CID21484734
Molecular FormulaC17H14ClFN2O
Molecular Weight316.76 g/mol
Exact Mass316.08
IUPAC Name2-[5-chloro-3-(2-fluorophenyl)-2-methylindol-1-yl]acetamide
SMILESCc1c(-c2ccccc2F)c2cc(Cl)ccc2n1CC(N)=O
InChIInChI=1S/C17H14ClFN2O/c1-10-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)21(10)9-16(20)22/h2-8H,9H2,1H3,(H2,20,22)
InChIKeyDFMUIXGDPXLVJR-UHFFFAOYSA-N
XLogP3.89
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-(2-fluorophenyl)-2-methylindol-1-yl]acetamide?
The IUPAC name of 2-[5-chloro-3-(2-fluorophenyl)-2-methylindol-1-yl]acetamide (CID 21484734) is 2-[5-chloro-3-(2-fluorophenyl)-2-methylindol-1-yl]acetamide.
What is the SMILES notation for 2-[5-chloro-3-(2-fluorophenyl)-2-methylindol-1-yl]acetamide?
The canonical SMILES for 2-[5-chloro-3-(2-fluorophenyl)-2-methylindol-1-yl]acetamide is Cc1c(-c2ccccc2F)c2cc(Cl)ccc2n1CC(N)=O.
What is the InChIKey of 2-[5-chloro-3-(2-fluorophenyl)-2-methylindol-1-yl]acetamide?
The InChIKey is DFMUIXGDPXLVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O/c1-10-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)21(10)9-16(20)22/h2-8H,9H2,1H3,(H2,20,22).
What are the key properties of 2-[5-chloro-3-(2-fluorophenyl)-2-methylindol-1-yl]acetamide?
2-[5-chloro-3-(2-fluorophenyl)-2-methylindol-1-yl]acetamide has a molecular weight of 316.76 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-3-(2-fluorophenyl)-2-methylindol-1-yl]acetamide is sourced from PubChem (CID 21484734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).