4-(difluoromethoxy)-3-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide

C20H23F2NO4 — CID 55782682

IUPAC4-(difluoromethoxy)-3-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
SMILESCOc1cc(C(=O)NC2CC(C)(C)Cc3oc(C)cc32)ccc1OC(F)F
InChIInChI=1S/C20H23F2NO4/c1-11-7-13-14(9-20(2,3)10-17(13)26-11)23-18(24)12-5-6-15(27-19(21)22)16(8-12)25-4/h5-8,14,19H,9-10H2,1-4H3,(H,23,24)
InChIKeyUAJVMJMHZZBWNQ-UHFFFAOYSA-N
MW379.40 g/mol
LogP4.64
Rot. Bonds5

About 4-(difluoromethoxy)-3-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide

4-(difluoromethoxy)-3-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide (PubChem CID 55782682) has the molecular formula C20H23F2NO4 and a molecular weight of 379.40 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
PubChem CID55782682
Molecular FormulaC20H23F2NO4
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
SMILESCOc1cc(C(=O)NC2CC(C)(C)Cc3oc(C)cc32)ccc1OC(F)F
InChIInChI=1S/C20H23F2NO4/c1-11-7-13-14(9-20(2,3)10-17(13)26-11)23-18(24)12-5-6-15(27-19(21)22)16(8-12)25-4/h5-8,14,19H,9-10H2,1-4H3,(H,23,24)
InChIKeyUAJVMJMHZZBWNQ-UHFFFAOYSA-N
XLogP4.64
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(difluoromethoxy)-3-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide 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

3-fluoro-4-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
CID 47047556
3,4,5-trimethoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide
CID 55782557
2-(3,4,5-trimethoxyphenyl)-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]acetamide
CID 51958779
4-ethoxy-5-methoxy-2-nitro-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]benzamide
CID 51958782
4-(difluoromethoxy)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybenzamide
CID 24509572
2-amino-3-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pentanamide
CID 43713733
(2R)-2-methylsulfonyl-N-[(4S)-2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl]propanamide
CID 94004654
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
3-methyl-2-(3-methylbutanoylamino)-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)butanamide
CID 55844841
4-(difluoromethoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxybenzamide
CID 11919951
methyl 5-[[4-(difluoromethoxy)-3-methoxybenzoyl]oxymethyl]furan-2-carboxylate
CID 2606973

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide (CID 55782682) is 4-(difluoromethoxy)-3-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide is COc1cc(C(=O)NC2CC(C)(C)Cc3oc(C)cc32)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide?
The InChIKey is UAJVMJMHZZBWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO4/c1-11-7-13-14(9-20(2,3)10-17(13)26-11)23-18(24)12-5-6-15(27-19(21)22)16(8-12)25-4/h5-8,14,19H,9-10H2,1-4H3,(H,23,24).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide?
4-(difluoromethoxy)-3-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide has a molecular weight of 379.40 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-methoxy-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)benzamide is sourced from PubChem (CID 55782682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).