N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-chlorothiophen-2-yl)propanamide

C15H15Cl2NO2S — CID 111434747

IUPACN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-chlorothiophen-2-yl)propanamide
SMILESO=C(CCc1cc(Cl)cs1)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2NO2S/c16-11-3-1-10(2-4-11)14(19)8-18-15(20)6-5-13-7-12(17)9-21-13/h1-4,7,9,14,19H,5-6,8H2,(H,18,20)
InChIKeyFLWOXEAFIHYCHG-UHFFFAOYSA-N
MW344.26 g/mol
LogP3.84
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-chlorothiophen-2-yl)propanamide

N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-chlorothiophen-2-yl)propanamide (PubChem CID 111434747) has the molecular formula C15H15Cl2NO2S and a molecular weight of 344.26 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-chlorothiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-chlorothiophen-2-yl)propanamide
PubChem CID111434747
Molecular FormulaC15H15Cl2NO2S
Molecular Weight344.26 g/mol
Exact Mass343.02
IUPAC NameN-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-chlorothiophen-2-yl)propanamide
SMILESO=C(CCc1cc(Cl)cs1)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2NO2S/c16-11-3-1-10(2-4-11)14(19)8-18-15(20)6-5-13-7-12(17)9-21-13/h1-4,7,9,14,19H,5-6,8H2,(H,18,20)
InChIKeyFLWOXEAFIHYCHG-UHFFFAOYSA-N
XLogP3.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide
CID 86076853
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N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
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CID 110885428
3-(4-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide
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N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylpropanamide
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N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 42947640
3-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
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CID 43391345

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-chlorothiophen-2-yl)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-chlorothiophen-2-yl)propanamide (CID 111434747) is N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-chlorothiophen-2-yl)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-chlorothiophen-2-yl)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-chlorothiophen-2-yl)propanamide is O=C(CCc1cc(Cl)cs1)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-chlorothiophen-2-yl)propanamide?
The InChIKey is FLWOXEAFIHYCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2S/c16-11-3-1-10(2-4-11)14(19)8-18-15(20)6-5-13-7-12(17)9-21-13/h1-4,7,9,14,19H,5-6,8H2,(H,18,20).
What are the key properties of N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-chlorothiophen-2-yl)propanamide?
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-chlorothiophen-2-yl)propanamide has a molecular weight of 344.26 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-chlorothiophen-2-yl)propanamide is sourced from PubChem (CID 111434747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).