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

C17H20FNO3 — CID 111479170

IUPACN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCC(C)(O)c2cc(C)oc2C)c1
InChIInChI=1S/C17H20FNO3/c1-10-5-6-15(18)13(7-10)16(20)19-9-17(4,21)14-8-11(2)22-12(14)3/h5-8,21H,9H2,1-4H3,(H,19,20)
InChIKeyXMQHVIHJSOVDLZ-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.98
Rot. Bonds4

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

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide (PubChem CID 111479170) has the molecular formula C17H20FNO3 and a molecular weight of 305.35 g/mol. Its IUPAC name is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide
PubChem CID111479170
Molecular FormulaC17H20FNO3
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NCC(C)(O)c2cc(C)oc2C)c1
InChIInChI=1S/C17H20FNO3/c1-10-5-6-15(18)13(7-10)16(20)19-9-17(4,21)14-8-11(2)22-12(14)3/h5-8,21H,9H2,1-4H3,(H,19,20)
InChIKeyXMQHVIHJSOVDLZ-UHFFFAOYSA-N
XLogP2.98
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111479091
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide
CID 111860663
2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62510396
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide
CID 111479066
N-(3-bromo-2,2-dimethylpropyl)-2-fluoro-5-methylbenzamide
CID 115364948
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(methoxymethyl)benzamide
CID 111479126
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(4-methylphenyl)methyl]urea
CID 111478668
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
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoro-5-methylbenzamide
CID 103839903
4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111478838

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide?
The IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide (CID 111479170) is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)NCC(C)(O)c2cc(C)oc2C)c1.
What is the InChIKey of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide?
The InChIKey is XMQHVIHJSOVDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3/c1-10-5-6-15(18)13(7-10)16(20)19-9-17(4,21)14-8-11(2)22-12(14)3/h5-8,21H,9H2,1-4H3,(H,19,20).
What are the key properties of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide?
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide has a molecular weight of 305.35 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 111479170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).