N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide

C16H18FNO4 — CID 111860663

IUPACN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide
SMILESCc1cc(C(C)(O)CNC(=O)c2cc(F)ccc2O)c(C)o1
InChIInChI=1S/C16H18FNO4/c1-9-6-13(10(2)22-9)16(3,21)8-18-15(20)12-7-11(17)4-5-14(12)19/h4-7,19,21H,8H2,1-3H3,(H,18,20)
InChIKeyWZVIRWJBOGUZQJ-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.38
Rot. Bonds4

About N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide (PubChem CID 111860663) has the molecular formula C16H18FNO4 and a molecular weight of 307.32 g/mol. Its IUPAC name is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide
PubChem CID111860663
Molecular FormulaC16H18FNO4
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide
SMILESCc1cc(C(C)(O)CNC(=O)c2cc(F)ccc2O)c(C)o1
InChIInChI=1S/C16H18FNO4/c1-9-6-13(10(2)22-9)16(3,21)8-18-15(20)12-7-11(17)4-5-14(12)19/h4-7,19,21H,8H2,1-3H3,(H,18,20)
InChIKeyWZVIRWJBOGUZQJ-UHFFFAOYSA-N
XLogP2.38
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide
CID 111479170
2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111479091
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
5-fluoro-2-hydroxy-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111860656
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide
CID 111479066
N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide
CID 115365585
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(methoxymethyl)benzamide
CID 111479126
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]-1H-indole-7-carboxamide
CID 111478785
4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111478838
N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide
CID 106142770

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide (CID 111860663) is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide is Cc1cc(C(C)(O)CNC(=O)c2cc(F)ccc2O)c(C)o1.
What is the InChIKey of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide?
The InChIKey is WZVIRWJBOGUZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4/c1-9-6-13(10(2)22-9)16(3,21)8-18-15(20)12-7-11(17)4-5-14(12)19/h4-7,19,21H,8H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide?
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide has a molecular weight of 307.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 111860663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).