2,5-dichloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide

C14H13Cl2NO2S — CID 121132130

IUPAC2,5-dichloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
SMILESO=C(NCCC(O)c1ccsc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO2S/c15-10-1-2-12(16)11(7-10)14(19)17-5-3-13(18)9-4-6-20-8-9/h1-2,4,6-8,13,18H,3,5H2,(H,17,19)
InChIKeyPZCZUJQGKNICHA-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.91
Rot. Bonds5

About 2,5-dichloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide

2,5-dichloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide (PubChem CID 121132130) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
PubChem CID121132130
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC Name2,5-dichloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
SMILESO=C(NCCC(O)c1ccsc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H13Cl2NO2S/c15-10-1-2-12(16)11(7-10)14(19)17-5-3-13(18)9-4-6-20-8-9/h1-2,4,6-8,13,18H,3,5H2,(H,17,19)
InChIKeyPZCZUJQGKNICHA-UHFFFAOYSA-N
XLogP3.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(5-chloro-2-methylphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)oxamide
CID 121132300
5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 111471543
N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121132078
1-(2-chlorophenyl)-3-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]urea
CID 99981751
methyl 4-[[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]carbamoyl]benzoate
CID 99981118
4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
CID 121132069
2,5-dichloro-N-[2-(methylamino)ethyl]benzamide
CID 62659102
N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide
CID 121132255
N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide
CID 80507130
2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 52992615
5-chloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-methylbenzenesulfonamide
CID 121132222
(E)-3-(2-chlorophenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)prop-2-enamide
CID 86264104

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide?
The IUPAC name of 2,5-dichloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide (CID 121132130) is 2,5-dichloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide is O=C(NCCC(O)c1ccsc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide?
The InChIKey is PZCZUJQGKNICHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c15-10-1-2-12(16)11(7-10)14(19)17-5-3-13(18)9-4-6-20-8-9/h1-2,4,6-8,13,18H,3,5H2,(H,17,19).
What are the key properties of 2,5-dichloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide?
2,5-dichloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide has a molecular weight of 330.24 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide is sourced from PubChem (CID 121132130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).