4-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide

C13H10ClNO2S — CID 13105423

IUPAC4-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(=O)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNO2S/c14-10-5-3-9(4-6-10)13(17)15-8-11(16)12-2-1-7-18-12/h1-7H,8H2,(H,15,17)
InChIKeyQENUBISIRHYCKX-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.01
Rot. Bonds4

About 4-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide

4-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide (PubChem CID 13105423) has the molecular formula C13H10ClNO2S and a molecular weight of 279.75 g/mol. Its IUPAC name is 4-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
PubChem CID13105423
Molecular FormulaC13H10ClNO2S
Molecular Weight279.75 g/mol
Exact Mass279.01
IUPAC Name4-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
SMILESO=C(NCC(=O)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNO2S/c14-10-5-3-9(4-6-10)13(17)15-8-11(16)12-2-1-7-18-12/h1-7H,8H2,(H,15,17)
InChIKeyQENUBISIRHYCKX-UHFFFAOYSA-N
XLogP3.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-oxo-2-thiophen-2-ylethyl) 2-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]acetate
CID 3518891
5-chloro-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 58248868
2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
CID 75357568
3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
CID 82121213
N-[2-(4-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 856376
4-chloro-N-[2-oxo-2-(4-phenylphenyl)ethyl]benzamide
CID 732485
3-bromo-N-(2-oxo-2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 58248872
4-chloro-N-[(1S)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]benzamide
CID 34317936
2-[(4-chlorobenzoyl)amino]acetyl chloride
CID 14545092
2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
CID 2731835
(2-oxo-2-thiophen-2-ylethyl) 2-[(4-methoxybenzoyl)amino]acetate
CID 8788738
5-(2,6-dichlorophenyl)-N-(2-oxo-2-thiophen-2-ylethyl)furan-2-carboxamide
CID 9150422

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide (CID 13105423) is 4-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide is O=C(NCC(=O)c1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide?
The InChIKey is QENUBISIRHYCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2S/c14-10-5-3-9(4-6-10)13(17)15-8-11(16)12-2-1-7-18-12/h1-7H,8H2,(H,15,17).
What are the key properties of 4-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide?
4-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide has a molecular weight of 279.75 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 13105423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).