N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-2-yl)acetamide

C15H12ClF2N3OS — CID 146093926

IUPACN-[2-(7-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-2-yl)acetamide
SMILESO=C(NCCc1c[nH]c2c(Cl)cccc12)C(F)(F)c1nccs1
InChIInChI=1S/C15H12ClF2N3OS/c16-11-3-1-2-10-9(8-21-12(10)11)4-5-19-13(22)15(17,18)14-20-6-7-23-14/h1-3,6-8,21H,4-5H2,(H,19,22)
InChIKeyWJCCOFSTBUGCPR-UHFFFAOYSA-N
MW355.80 g/mol
LogP3.73
Rot. Bonds5

About N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-2-yl)acetamide

N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-2-yl)acetamide (PubChem CID 146093926) has the molecular formula C15H12ClF2N3OS and a molecular weight of 355.80 g/mol. Its IUPAC name is N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(7-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-2-yl)acetamide
PubChem CID146093926
Molecular FormulaC15H12ClF2N3OS
Molecular Weight355.80 g/mol
Exact Mass355.04
IUPAC NameN-[2-(7-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-2-yl)acetamide
SMILESO=C(NCCc1c[nH]c2c(Cl)cccc12)C(F)(F)c1nccs1
InChIInChI=1S/C15H12ClF2N3OS/c16-11-3-1-2-10-9(8-21-12(10)11)4-5-19-13(22)15(17,18)14-20-6-7-23-14/h1-3,6-8,21H,4-5H2,(H,19,22)
InChIKeyWJCCOFSTBUGCPR-UHFFFAOYSA-N
XLogP3.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(7-chloro-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 146093918
N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine
CID 76846630
2-(7-chloro-1H-indol-3-yl)acetamide
CID 10703607
3-amino-N-[2-(7-chloro-1H-indol-3-yl)ethyl]-3-phenylpyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 166364066
(3R)-N-[2-(7-chloro-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 138057346
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-5-yl)acetamide
CID 146093949
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-4-yl)acetamide
CID 146093938
2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 79792358
N-[2-(7-chloro-1H-indol-3-yl)ethyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,1'-cyclobutane]-6-carboxamide
CID 167975090
methyl N-[2-(7-bromo-1H-indol-3-yl)ethyl]carbamate
CID 25058616
N-[2-(7-fluoro-1H-indol-3-yl)ethyl]-4-pyridin-4-ylbenzamide
CID 25142685
2-(2-aminoethyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 120632210

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-2-yl)acetamide (CID 146093926) is N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-2-yl)acetamide is O=C(NCCc1c[nH]c2c(Cl)cccc12)C(F)(F)c1nccs1.
What is the InChIKey of N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-2-yl)acetamide?
The InChIKey is WJCCOFSTBUGCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2N3OS/c16-11-3-1-2-10-9(8-21-12(10)11)4-5-19-13(22)15(17,18)14-20-6-7-23-14/h1-3,6-8,21H,4-5H2,(H,19,22).
What are the key properties of N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-2-yl)acetamide?
N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-2-yl)acetamide has a molecular weight of 355.80 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-chloro-1H-indol-3-yl)ethyl]-2,2-difluoro-2-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 146093926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).