N-(4,4-difluoropyrrolidin-3-yl)-2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxamide

C22H22F2N2O3 — CID 163379533

IUPACN-(4,4-difluoropyrrolidin-3-yl)-2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
SMILESCc1oc2c(C)cc(OCc3ccccc3)cc2c1C(=O)NC1CNCC1(F)F
InChIInChI=1S/C22H22F2N2O3/c1-13-8-16(28-11-15-6-4-3-5-7-15)9-17-19(14(2)29-20(13)17)21(27)26-18-10-25-12-22(18,23)24/h3-9,18,25H,10-12H2,1-2H3,(H,26,27)
InChIKeyPASZDQJKQZIMFN-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.97
Rot. Bonds5

About N-(4,4-difluoropyrrolidin-3-yl)-2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxamide

N-(4,4-difluoropyrrolidin-3-yl)-2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxamide (PubChem CID 163379533) has the molecular formula C22H22F2N2O3 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-(4,4-difluoropyrrolidin-3-yl)-2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluoropyrrolidin-3-yl)-2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
PubChem CID163379533
Molecular FormulaC22H22F2N2O3
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC NameN-(4,4-difluoropyrrolidin-3-yl)-2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxamide
SMILESCc1oc2c(C)cc(OCc3ccccc3)cc2c1C(=O)NC1CNCC1(F)F
InChIInChI=1S/C22H22F2N2O3/c1-13-8-16(28-11-15-6-4-3-5-7-15)9-17-19(14(2)29-20(13)17)21(27)26-18-10-25-12-22(18,23)24/h3-9,18,25H,10-12H2,1-2H3,(H,26,27)
InChIKeyPASZDQJKQZIMFN-UHFFFAOYSA-N
XLogP3.97
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4,4-difluoropyrrolidin-3-yl)-2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-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

2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
CID 163379686
N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-(2-phenylethoxy)furo[2,3-c]pyridine-3-carboxamide
CID 170599696
N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380842
2-(2-amino-5-phenylmethoxyphenyl)-N-[(3R)-4,4-difluoropyrrolidin-3-yl]-2-methyliminoacetamide
CID 170602908
N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(6-oxo-1H-pyridin-2-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380334
2-methyl-N-(oxetan-3-yl)-5-phenylmethoxy-1-benzofuran-3-carboxamide
CID 163379359
tert-butyl 4-[[2,7-dimethyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carbonyl]amino]-3,3-difluoropiperidine-1-carboxylate
CID 163380658
7-cyano-2-methyl-5-phenylmethoxy-1-benzofuran-3-carboxylic acid
CID 163379743
ethanol;methylazanide;2-methyl-5-phenylmethoxy-N-pyrrolidin-3-yl-1-benzofuran-3-carboxamide;uranium
CID 163379362
(2S,4R)-4-[(2-methyl-5-phenylmethoxy-1-benzofuran-3-carbonyl)amino]pyrrolidine-2-carboxylic acid
CID 163379337
N-(3,3-difluoropiperidin-4-yl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-methyl-1-benzofuran-3-carboxamide
CID 163380826
N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380440

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluoropyrrolidin-3-yl)-2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxamide?
The IUPAC name of N-(4,4-difluoropyrrolidin-3-yl)-2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxamide (CID 163379533) is N-(4,4-difluoropyrrolidin-3-yl)-2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(4,4-difluoropyrrolidin-3-yl)-2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(4,4-difluoropyrrolidin-3-yl)-2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxamide is Cc1oc2c(C)cc(OCc3ccccc3)cc2c1C(=O)NC1CNCC1(F)F.
What is the InChIKey of N-(4,4-difluoropyrrolidin-3-yl)-2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxamide?
The InChIKey is PASZDQJKQZIMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O3/c1-13-8-16(28-11-15-6-4-3-5-7-15)9-17-19(14(2)29-20(13)17)21(27)26-18-10-25-12-22(18,23)24/h3-9,18,25H,10-12H2,1-2H3,(H,26,27).
What are the key properties of N-(4,4-difluoropyrrolidin-3-yl)-2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxamide?
N-(4,4-difluoropyrrolidin-3-yl)-2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluoropyrrolidin-3-yl)-2,7-dimethyl-5-phenylmethoxy-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163379533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).