N-[2-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide

C27H25FN2O2 — CID 92501081

IUPACN-[2-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide
SMILESO=C(Nc1c([C@@H](c2cccc(F)c2)N2CCCCC2)oc2ccccc12)c1ccccc1
InChIInChI=1S/C27H25FN2O2/c28-21-13-9-12-20(18-21)25(30-16-7-2-8-17-30)26-24(22-14-5-6-15-23(22)32-26)29-27(31)19-10-3-1-4-11-19/h1,3-6,9-15,18,25H,2,7-8,16-17H2,(H,29,31)/t25-/m1/s1
InChIKeyVAKHTOLRSHKXMH-RUZDIDTESA-N
MW428.51 g/mol
LogP6.40
Rot. Bonds5

About N-[2-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide

N-[2-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide (PubChem CID 92501081) has the molecular formula C27H25FN2O2 and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[2-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide
PubChem CID92501081
Molecular FormulaC27H25FN2O2
Molecular Weight428.51 g/mol
Exact Mass428.19
IUPAC NameN-[2-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide
SMILESO=C(Nc1c([C@@H](c2cccc(F)c2)N2CCCCC2)oc2ccccc12)c1ccccc1
InChIInChI=1S/C27H25FN2O2/c28-21-13-9-12-20(18-21)25(30-16-7-2-8-17-30)26-24(22-14-5-6-15-23(22)32-26)29-27(31)19-10-3-1-4-11-19/h1,3-6,9-15,18,25H,2,7-8,16-17H2,(H,29,31)/t25-/m1/s1
InChIKeyVAKHTOLRSHKXMH-RUZDIDTESA-N
XLogP6.40
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 46270057
N-[2-[(S)-(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]-4-methylbenzamide
CID 92765223
N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501103
4-methyl-N-[2-[(S)-phenyl(piperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 92501125
N-[2-[(S)-(3-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501068
4-methyl-N-[2-[(4-methylsulfanylphenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 46270087
4-methyl-N-[2-[piperidin-1-yl(pyridin-3-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 46270083
N-[2-[(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 46270061
N-[2-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 20899146
N-[2-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 46270053
N-[2-[(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 20899135
N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
CID 92500941

Frequently Asked Questions

What is the IUPAC name of N-[2-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide?
The IUPAC name of N-[2-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide (CID 92501081) is N-[2-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for N-[2-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide?
The canonical SMILES for N-[2-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide is O=C(Nc1c([C@@H](c2cccc(F)c2)N2CCCCC2)oc2ccccc12)c1ccccc1.
What is the InChIKey of N-[2-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide?
The InChIKey is VAKHTOLRSHKXMH-RUZDIDTESA-N. The full InChI is InChI=1S/C27H25FN2O2/c28-21-13-9-12-20(18-21)25(30-16-7-2-8-17-30)26-24(22-14-5-6-15-23(22)32-26)29-27(31)19-10-3-1-4-11-19/h1,3-6,9-15,18,25H,2,7-8,16-17H2,(H,29,31)/t25-/m1/s1.
What are the key properties of N-[2-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide?
N-[2-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide has a molecular weight of 428.51 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 92501081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).