N-[2-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide

C28H27ClN2O2 — CID 20899146

IUPACN-[2-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
SMILESCC1CCN(C(c2ccc(Cl)cc2)c2oc3ccccc3c2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C28H27ClN2O2/c1-19-15-17-31(18-16-19)26(20-11-13-22(29)14-12-20)27-25(23-9-5-6-10-24(23)33-27)30-28(32)21-7-3-2-4-8-21/h2-14,19,26H,15-18H2,1H3,(H,30,32)
InChIKeyWCNPRQUNIRLLEJ-UHFFFAOYSA-N
MW458.99 g/mol
LogP7.16
Rot. Bonds5

About N-[2-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide

N-[2-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide (PubChem CID 20899146) has the molecular formula C28H27ClN2O2 and a molecular weight of 458.99 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
PubChem CID20899146
Molecular FormulaC28H27ClN2O2
Molecular Weight458.99 g/mol
Exact Mass458.18
IUPAC NameN-[2-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
SMILESCC1CCN(C(c2ccc(Cl)cc2)c2oc3ccccc3c2NC(=O)c2ccccc2)CC1
InChIInChI=1S/C28H27ClN2O2/c1-19-15-17-31(18-16-19)26(20-11-13-22(29)14-12-20)27-25(23-9-5-6-10-24(23)33-27)30-28(32)21-7-3-2-4-8-21/h2-14,19,26H,15-18H2,1H3,(H,30,32)
InChIKeyWCNPRQUNIRLLEJ-UHFFFAOYSA-N
XLogP7.16
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.99
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-methoxyphenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 20899135
N-[2-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 46270057
4-methyl-N-[2-[(4-methylpiperidin-1-yl)-(4-methylsulfanylphenyl)methyl]-1-benzofuran-3-yl]benzamide
CID 46270089
N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501103
N-[2-[(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 46270061
N-[2-[(S)-(3-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501068
N-[2-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 46270053
N-[2-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92765182
4-methyl-N-[2-[(S)-phenyl(piperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 92501125
N-[2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500979
N-[2-[(4-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
CID 46269989
N-[2-[(R)-(2-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92500992

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
The IUPAC name of N-[2-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide (CID 20899146) is N-[2-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide is CC1CCN(C(c2ccc(Cl)cc2)c2oc3ccccc3c2NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
The InChIKey is WCNPRQUNIRLLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN2O2/c1-19-15-17-31(18-16-19)26(20-11-13-22(29)14-12-20)27-25(23-9-5-6-10-24(23)33-27)30-28(32)21-7-3-2-4-8-21/h2-14,19,26H,15-18H2,1H3,(H,30,32).
What are the key properties of N-[2-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide?
N-[2-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide has a molecular weight of 458.99 g/mol, XLogP of 7.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 20899146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).