N-[(S)-2,3-dihydro-1-benzofuran-5-yl-(4-methoxyphenyl)methyl]-2,2-difluoroacetamide

C18H17F2NO3 — CID 100703606

IUPACN-[(S)-2,3-dihydro-1-benzofuran-5-yl-(4-methoxyphenyl)methyl]-2,2-difluoroacetamide
SMILESCOc1ccc([C@H](NC(=O)C(F)F)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C18H17F2NO3/c1-23-14-5-2-11(3-6-14)16(21-18(22)17(19)20)13-4-7-15-12(10-13)8-9-24-15/h2-7,10,16-17H,8-9H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyQFXYYAOYRUJIAC-INIZCTEOSA-N
MW333.33 g/mol
LogP3.10
Rot. Bonds5

About N-[(S)-2,3-dihydro-1-benzofuran-5-yl-(4-methoxyphenyl)methyl]-2,2-difluoroacetamide

N-[(S)-2,3-dihydro-1-benzofuran-5-yl-(4-methoxyphenyl)methyl]-2,2-difluoroacetamide (PubChem CID 100703606) has the molecular formula C18H17F2NO3 and a molecular weight of 333.33 g/mol. Its IUPAC name is N-[(S)-2,3-dihydro-1-benzofuran-5-yl-(4-methoxyphenyl)methyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[(S)-2,3-dihydro-1-benzofuran-5-yl-(4-methoxyphenyl)methyl]-2,2-difluoroacetamide
PubChem CID100703606
Molecular FormulaC18H17F2NO3
Molecular Weight333.33 g/mol
Exact Mass333.12
IUPAC NameN-[(S)-2,3-dihydro-1-benzofuran-5-yl-(4-methoxyphenyl)methyl]-2,2-difluoroacetamide
SMILESCOc1ccc([C@H](NC(=O)C(F)F)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C18H17F2NO3/c1-23-14-5-2-11(3-6-14)16(21-18(22)17(19)20)13-4-7-15-12(10-13)8-9-24-15/h2-7,10,16-17H,8-9H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyQFXYYAOYRUJIAC-INIZCTEOSA-N
XLogP3.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)urea
CID 25352937
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
CID 61100594
(2R)-2-amino-N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]propanamide
CID 119320933
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)propanamide
CID 86263918
2,2-difluoro-N-[(R)-(2-methoxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 100703367
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-2,3-dihydroxypropanoate
CID 171864210
2,3-dihydro-1-benzofuran-5-yl-(2,4-dimethoxyphenyl)methanol
CID 61099921
N-[1-(4-methoxyphenyl)propyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732686
methyl 2-[2,3-dihydro-1-benzofuran-5-yl(hydroxy)methyl]-3-methylbutanoate
CID 62394211
[2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105333854
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide
CID 90557936
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-methoxybenzenesulfonamide
CID 90558041

Frequently Asked Questions

What is the IUPAC name of N-[(S)-2,3-dihydro-1-benzofuran-5-yl-(4-methoxyphenyl)methyl]-2,2-difluoroacetamide?
The IUPAC name of N-[(S)-2,3-dihydro-1-benzofuran-5-yl-(4-methoxyphenyl)methyl]-2,2-difluoroacetamide (CID 100703606) is N-[(S)-2,3-dihydro-1-benzofuran-5-yl-(4-methoxyphenyl)methyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[(S)-2,3-dihydro-1-benzofuran-5-yl-(4-methoxyphenyl)methyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[(S)-2,3-dihydro-1-benzofuran-5-yl-(4-methoxyphenyl)methyl]-2,2-difluoroacetamide is COc1ccc([C@H](NC(=O)C(F)F)c2ccc3c(c2)CCO3)cc1.
What is the InChIKey of N-[(S)-2,3-dihydro-1-benzofuran-5-yl-(4-methoxyphenyl)methyl]-2,2-difluoroacetamide?
The InChIKey is QFXYYAOYRUJIAC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17F2NO3/c1-23-14-5-2-11(3-6-14)16(21-18(22)17(19)20)13-4-7-15-12(10-13)8-9-24-15/h2-7,10,16-17H,8-9H2,1H3,(H,21,22)/t16-/m0/s1.
What are the key properties of N-[(S)-2,3-dihydro-1-benzofuran-5-yl-(4-methoxyphenyl)methyl]-2,2-difluoroacetamide?
N-[(S)-2,3-dihydro-1-benzofuran-5-yl-(4-methoxyphenyl)methyl]-2,2-difluoroacetamide has a molecular weight of 333.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-2,3-dihydro-1-benzofuran-5-yl-(4-methoxyphenyl)methyl]-2,2-difluoroacetamide is sourced from PubChem (CID 100703606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).