N-[(4-fluorophenyl)methyl]-3,5,6-trimethyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide

C24H26FNO3 — CID 19120160

IUPACN-[(4-fluorophenyl)methyl]-3,5,6-trimethyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)N(Cc3ccc(F)cc3)CC3CCCO3)c(C)c2cc1C
InChIInChI=1S/C24H26FNO3/c1-15-11-21-17(3)23(29-22(21)12-16(15)2)24(27)26(14-20-5-4-10-28-20)13-18-6-8-19(25)9-7-18/h6-9,11-12,20H,4-5,10,13-14H2,1-3H3
InChIKeyKYHCQYQEESZWCN-UHFFFAOYSA-N
MW395.47 g/mol
LogP5.32
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3,5,6-trimethyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide

N-[(4-fluorophenyl)methyl]-3,5,6-trimethyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 19120160) has the molecular formula C24H26FNO3 and a molecular weight of 395.47 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3,5,6-trimethyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3,5,6-trimethyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID19120160
Molecular FormulaC24H26FNO3
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC NameN-[(4-fluorophenyl)methyl]-3,5,6-trimethyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)N(Cc3ccc(F)cc3)CC3CCCO3)c(C)c2cc1C
InChIInChI=1S/C24H26FNO3/c1-15-11-21-17(3)23(29-22(21)12-16(15)2)24(27)26(14-20-5-4-10-28-20)13-18-6-8-19(25)9-7-18/h6-9,11-12,20H,4-5,10,13-14H2,1-3H3
InChIKeyKYHCQYQEESZWCN-UHFFFAOYSA-N
XLogP5.32
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.47
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluorophenyl)methyl]-3,5,6-trimethyl-N-(oxolan-2-ylmethyl)-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

5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 40776188
5-fluoro-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 55391194
3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 29349444
N-[(4-chlorophenyl)methyl]-6,7-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 40871229
6-fluoro-N-[(4-fluorophenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
CID 43843151
N-[(4-fluorophenyl)methyl]-4-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 19119950
N-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541235
6-bromo-N-[(2-fluorophenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 19120202
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 51895882
6-fluoro-N-[(4-methoxyphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)chromene-2-carboxamide
CID 43843506
N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(2,3,4,5,6-pentafluorophenoxy)acetamide
CID 19119996
N-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(2,3,4,5,6-pentachlorophenoxy)acetamide
CID 19119995

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3,5,6-trimethyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3,5,6-trimethyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 19120160) is N-[(4-fluorophenyl)methyl]-3,5,6-trimethyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3,5,6-trimethyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3,5,6-trimethyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide is Cc1cc2oc(C(=O)N(Cc3ccc(F)cc3)CC3CCCO3)c(C)c2cc1C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3,5,6-trimethyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is KYHCQYQEESZWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO3/c1-15-11-21-17(3)23(29-22(21)12-16(15)2)24(27)26(14-20-5-4-10-28-20)13-18-6-8-19(25)9-7-18/h6-9,11-12,20H,4-5,10,13-14H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-3,5,6-trimethyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
N-[(4-fluorophenyl)methyl]-3,5,6-trimethyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3,5,6-trimethyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19120160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).