5-[(4-chloro-3-pyridinyl)methoxy]-N-(3,3-difluoropiperidin-4-yl)-2-methyl-1-benzofuran-3-carboxamide

C21H20ClF2N3O3 — CID 163380717

IUPAC5-[(4-chloro-3-pyridinyl)methoxy]-N-(3,3-difluoropiperidin-4-yl)-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3cnccc3Cl)cc2c1C(=O)NC1CCNCC1(F)F
InChIInChI=1S/C21H20ClF2N3O3/c1-12-19(20(28)27-18-5-7-26-11-21(18,23)24)15-8-14(2-3-17(15)30-12)29-10-13-9-25-6-4-16(13)22/h2-4,6,8-9,18,26H,5,7,10-11H2,1H3,(H,27,28)
InChIKeyHXXUNFOJIIHCQR-UHFFFAOYSA-N
MW435.86 g/mol
LogP4.10
Rot. Bonds5

About 5-[(4-chloro-3-pyridinyl)methoxy]-N-(3,3-difluoropiperidin-4-yl)-2-methyl-1-benzofuran-3-carboxamide

5-[(4-chloro-3-pyridinyl)methoxy]-N-(3,3-difluoropiperidin-4-yl)-2-methyl-1-benzofuran-3-carboxamide (PubChem CID 163380717) has the molecular formula C21H20ClF2N3O3 and a molecular weight of 435.86 g/mol. Its IUPAC name is 5-[(4-chloro-3-pyridinyl)methoxy]-N-(3,3-difluoropiperidin-4-yl)-2-methyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-3-pyridinyl)methoxy]-N-(3,3-difluoropiperidin-4-yl)-2-methyl-1-benzofuran-3-carboxamide
PubChem CID163380717
Molecular FormulaC21H20ClF2N3O3
Molecular Weight435.86 g/mol
Exact Mass435.12
IUPAC Name5-[(4-chloro-3-pyridinyl)methoxy]-N-(3,3-difluoropiperidin-4-yl)-2-methyl-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3cnccc3Cl)cc2c1C(=O)NC1CCNCC1(F)F
InChIInChI=1S/C21H20ClF2N3O3/c1-12-19(20(28)27-18-5-7-26-11-21(18,23)24)15-8-14(2-3-17(15)30-12)29-10-13-9-25-6-4-16(13)22/h2-4,6,8-9,18,26H,5,7,10-11H2,1H3,(H,27,28)
InChIKeyHXXUNFOJIIHCQR-UHFFFAOYSA-N
XLogP4.10
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.86
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380775
N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(4-methyl-1,3-oxazol-2-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380440
N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(6-oxo-1H-pyridin-2-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380334
N-(3,3-difluoropiperidin-4-yl)-5-(imidazo[1,2-a]pyridin-6-ylmethoxy)-2-methyl-1-benzofuran-3-carboxamide
CID 163380826
N-(4,4-difluoropyrrolidin-3-yl)-2-methyl-5-[(2-oxo-1H-pyridin-3-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380842
4-chloro-N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 169222061
ethane;2-methyl-N-pyrrolidin-3-yl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380526
N-(3,3-difluoropiperidin-4-yl)-6-fluoro-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
CID 163380299
N-(4,4-difluorooxolan-3-yl)-2-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzofuran-3-carboxamide
CID 163380454
5-[(2-fluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide
CID 163379508
5-[(2,3-difluorophenyl)methoxy]-2-methyl-N-[(3S)-pyrrolidin-3-yl]-1-benzofuran-3-carboxamide
CID 163379483
N-(3,3-difluoropiperidin-4-yl)-5-[(2-fluorophenyl)methoxy]-2-methyl-1-benzothiophene-3-carboxamide
CID 170599544

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-pyridinyl)methoxy]-N-(3,3-difluoropiperidin-4-yl)-2-methyl-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[(4-chloro-3-pyridinyl)methoxy]-N-(3,3-difluoropiperidin-4-yl)-2-methyl-1-benzofuran-3-carboxamide (CID 163380717) is 5-[(4-chloro-3-pyridinyl)methoxy]-N-(3,3-difluoropiperidin-4-yl)-2-methyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[(4-chloro-3-pyridinyl)methoxy]-N-(3,3-difluoropiperidin-4-yl)-2-methyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[(4-chloro-3-pyridinyl)methoxy]-N-(3,3-difluoropiperidin-4-yl)-2-methyl-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3cnccc3Cl)cc2c1C(=O)NC1CCNCC1(F)F.
What is the InChIKey of 5-[(4-chloro-3-pyridinyl)methoxy]-N-(3,3-difluoropiperidin-4-yl)-2-methyl-1-benzofuran-3-carboxamide?
The InChIKey is HXXUNFOJIIHCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF2N3O3/c1-12-19(20(28)27-18-5-7-26-11-21(18,23)24)15-8-14(2-3-17(15)30-12)29-10-13-9-25-6-4-16(13)22/h2-4,6,8-9,18,26H,5,7,10-11H2,1H3,(H,27,28).
What are the key properties of 5-[(4-chloro-3-pyridinyl)methoxy]-N-(3,3-difluoropiperidin-4-yl)-2-methyl-1-benzofuran-3-carboxamide?
5-[(4-chloro-3-pyridinyl)methoxy]-N-(3,3-difluoropiperidin-4-yl)-2-methyl-1-benzofuran-3-carboxamide has a molecular weight of 435.86 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-pyridinyl)methoxy]-N-(3,3-difluoropiperidin-4-yl)-2-methyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163380717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).