N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide

C16H18FNO3 — CID 97042845

IUPACN-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide
SMILESCc1cc([C@H](O)CCNC(=O)c2ccccc2F)c(C)o1
InChIInChI=1S/C16H18FNO3/c1-10-9-13(11(2)21-10)15(19)7-8-18-16(20)12-5-3-4-6-14(12)17/h3-6,9,15,19H,7-8H2,1-2H3,(H,18,20)/t15-/m1/s1
InChIKeyQYXGHIYOMUNUCX-OAHLLOKOSA-N
MW291.32 g/mol
LogP2.89
Rot. Bonds5

About N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide

N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide (PubChem CID 97042845) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide
PubChem CID97042845
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC NameN-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide
SMILESCc1cc([C@H](O)CCNC(=O)c2ccccc2F)c(C)o1
InChIInChI=1S/C16H18FNO3/c1-10-9-13(11(2)21-10)15(19)7-8-18-16(20)12-5-3-4-6-14(12)17/h3-6,9,15,19H,7-8H2,1-2H3,(H,18,20)/t15-/m1/s1
InChIKeyQYXGHIYOMUNUCX-OAHLLOKOSA-N
XLogP2.89
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]benzamide
CID 121133050
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 121133032
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-nitrobenzamide
CID 121133067
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethylbenzamide
CID 121133041
N-[(3S)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-oxochromene-3-carboxamide
CID 97042914
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-methyl-3-nitrobenzamide
CID 121133079
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4,6-trimethylbenzamide
CID 121133057
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,4-dimethoxybenzamide
CID 121133086
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-ethylbutanamide
CID 121133019
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-methylpropanamide
CID 121133010
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]propanamide
CID 121133006
N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97042843

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide?
The IUPAC name of N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide (CID 97042845) is N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide.
What is the SMILES notation for N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide?
The canonical SMILES for N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide is Cc1cc([C@H](O)CCNC(=O)c2ccccc2F)c(C)o1.
What is the InChIKey of N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide?
The InChIKey is QYXGHIYOMUNUCX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-10-9-13(11(2)21-10)15(19)7-8-18-16(20)12-5-3-4-6-14(12)17/h3-6,9,15,19H,7-8H2,1-2H3,(H,18,20)/t15-/m1/s1.
What are the key properties of N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide?
N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide has a molecular weight of 291.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-fluorobenzamide is sourced from PubChem (CID 97042845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).