2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide

C14H11Cl2NOS — CID 51273724

IUPAC2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
SMILESO=C(NC1CCc2ccccc21)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H11Cl2NOS/c15-12-7-10(13(16)19-12)14(18)17-11-6-5-8-3-1-2-4-9(8)11/h1-4,7,11H,5-6H2,(H,17,18)
InChIKeyMNOAAWBJLQOIOU-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.47
Rot. Bonds2

About 2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide

2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide (PubChem CID 51273724) has the molecular formula C14H11Cl2NOS and a molecular weight of 312.22 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
PubChem CID51273724
Molecular FormulaC14H11Cl2NOS
Molecular Weight312.22 g/mol
Exact Mass310.99
IUPAC Name2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
SMILESO=C(NC1CCc2ccccc21)c1cc(Cl)sc1Cl
InChIInChI=1S/C14H11Cl2NOS/c15-12-7-10(13(16)19-12)14(18)17-11-6-5-8-3-1-2-4-9(8)11/h1-4,7,11H,5-6H2,(H,17,18)
InChIKeyMNOAAWBJLQOIOU-UHFFFAOYSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 103981419
2,5-dibromo-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 114370976
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760
5-chloro-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxypyridine-3-carboxamide
CID 171547623
N-(2,3-dihydro-1H-inden-1-yl)-2-methylfuran-3-carboxamide
CID 47015555
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide
CID 42889076
2-chloro-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42989247
3,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7428902
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976369

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide (CID 51273724) is 2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide is O=C(NC1CCc2ccccc21)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide?
The InChIKey is MNOAAWBJLQOIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NOS/c15-12-7-10(13(16)19-12)14(18)17-11-6-5-8-3-1-2-4-9(8)11/h1-4,7,11H,5-6H2,(H,17,18).
What are the key properties of 2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide?
2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide has a molecular weight of 312.22 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide is sourced from PubChem (CID 51273724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).