2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide

C16H17Cl2NO3 — CID 111479091

IUPAC2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
SMILESCc1cc(C(C)(O)CNC(=O)c2cc(Cl)ccc2Cl)c(C)o1
InChIInChI=1S/C16H17Cl2NO3/c1-9-6-13(10(2)22-9)16(3,21)8-19-15(20)12-7-11(17)4-5-14(12)18/h4-7,21H,8H2,1-3H3,(H,19,20)
InChIKeyYOASXJVNHPWINS-UHFFFAOYSA-N
MW342.22 g/mol
LogP3.84
Rot. Bonds4

About 2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide

2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide (PubChem CID 111479091) has the molecular formula C16H17Cl2NO3 and a molecular weight of 342.22 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
PubChem CID111479091
Molecular FormulaC16H17Cl2NO3
Molecular Weight342.22 g/mol
Exact Mass341.06
IUPAC Name2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
SMILESCc1cc(C(C)(O)CNC(=O)c2cc(Cl)ccc2Cl)c(C)o1
InChIInChI=1S/C16H17Cl2NO3/c1-9-6-13(10(2)22-9)16(3,21)8-19-15(20)12-7-11(17)4-5-14(12)18/h4-7,21H,8H2,1-3H3,(H,19,20)
InChIKeyYOASXJVNHPWINS-UHFFFAOYSA-N
XLogP3.84
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide
CID 111479170
5-chloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111478926
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide
CID 111860663
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(methoxymethyl)benzamide
CID 111479126
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1H-indole-7-carboxamide
CID 111478785
4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111478838
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605
N-(3-bromo-2,2-dimethylpropyl)-2,5-dichlorobenzamide
CID 115364763
2,5-dichloro-N-(3-chloro-2,2-dimethylpropyl)benzamide
CID 115364431
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]quinoline-4-carboxamide
CID 111478851
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylpyrrole-2-carboxamide
CID 71985014

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide (CID 111479091) is 2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide is Cc1cc(C(C)(O)CNC(=O)c2cc(Cl)ccc2Cl)c(C)o1.
What is the InChIKey of 2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide?
The InChIKey is YOASXJVNHPWINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO3/c1-9-6-13(10(2)22-9)16(3,21)8-19-15(20)12-7-11(17)4-5-14(12)18/h4-7,21H,8H2,1-3H3,(H,19,20).
What are the key properties of 2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide?
2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide has a molecular weight of 342.22 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 111479091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).