5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide

C14H16FNO3 — CID 115869516

IUPAC5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)C(C)CO)oc2ccc(F)cc12
InChIInChI=1S/C14H16FNO3/c1-8(7-17)16(3)14(18)13-9(2)11-6-10(15)4-5-12(11)19-13/h4-6,8,17H,7H2,1-3H3
InChIKeyZTOXANHAGUPHFO-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.33
Rot. Bonds3

About 5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide

5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 115869516) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
PubChem CID115869516
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)C(C)CO)oc2ccc(F)cc12
InChIInChI=1S/C14H16FNO3/c1-8(7-17)16(3)14(18)13-9(2)11-6-10(15)4-5-12(11)19-13/h4-6,8,17H,7H2,1-3H3
InChIKeyZTOXANHAGUPHFO-UHFFFAOYSA-N
XLogP2.33
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-methylamino]acetic acid
CID 43241803
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-methylpentan-1-one
CID 107891205
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)-propan-2-ylamino]acetic acid
CID 60831048
5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1-benzofuran-2-carboxamide
CID 109388505
N-(1-aminopropan-2-yl)-5-bromo-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 119582014
N-ethyl-5-fluoro-N-(3-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 115771204
7-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 112548198
7-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 109388515
methyl 2-[ethyl-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 61383254
N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18169026
5-fluoro-3-methyl-N'-(3-methylbutanoyl)-1-benzofuran-2-carbohydrazide
CID 17441780
N-(2-ethyl-2-hydroxybutyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 65112503

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide (CID 115869516) is 5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C)C(C)CO)oc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is ZTOXANHAGUPHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-8(7-17)16(3)14(18)13-9(2)11-6-10(15)4-5-12(11)19-13/h4-6,8,17H,7H2,1-3H3.
What are the key properties of 5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide?
5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 265.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 115869516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).