N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

C22H22ClFN2O2 — CID 55428292

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)oc2ccc(F)cc12
InChIInChI=1S/C22H22ClFN2O2/c1-14-19-12-17(24)6-7-20(19)28-21(14)22(27)25-18-8-10-26(11-9-18)13-15-2-4-16(23)5-3-15/h2-7,12,18H,8-11,13H2,1H3,(H,25,27)
InChIKeyAHPBKNDAUIGCCZ-UHFFFAOYSA-N
MW400.88 g/mol
LogP4.93
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 55428292) has the molecular formula C22H22ClFN2O2 and a molecular weight of 400.88 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID55428292
Molecular FormulaC22H22ClFN2O2
Molecular Weight400.88 g/mol
Exact Mass400.14
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)oc2ccc(F)cc12
InChIInChI=1S/C22H22ClFN2O2/c1-14-19-12-17(24)6-7-20(19)28-21(14)22(27)25-18-8-10-26(11-9-18)13-15-2-4-16(23)5-3-15/h2-7,12,18H,8-11,13H2,1H3,(H,25,27)
InChIKeyAHPBKNDAUIGCCZ-UHFFFAOYSA-N
XLogP4.93
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.88
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 32527372
N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119476472
7-fluoro-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-4-oxochromene-2-carboxamide
CID 11509431
N-cyclopropyl-5-[(4-fluorophenyl)methylsulfonyl]-3-methyl-1-benzofuran-2-carboxamide
CID 58356257
2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide
CID 51239211
3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 24964486
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dimethylphenyl)acetamide
CID 18121031
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 134047684
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 45136478
4-bromo-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 55960708
5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 103774296
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 55428292) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)oc2ccc(F)cc12.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is AHPBKNDAUIGCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN2O2/c1-14-19-12-17(24)6-7-20(19)28-21(14)22(27)25-18-8-10-26(11-9-18)13-15-2-4-16(23)5-3-15/h2-7,12,18H,8-11,13H2,1H3,(H,25,27).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 400.88 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55428292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).