N-[2-[(S)-(3-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide

C26H23ClN2O3 — CID 92501068

IUPACN-[2-[(S)-(3-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
SMILESO=C(Nc1c([C@H](c2cccc(Cl)c2)N2CCOCC2)oc2ccccc12)c1ccccc1
InChIInChI=1S/C26H23ClN2O3/c27-20-10-6-9-19(17-20)24(29-13-15-31-16-14-29)25-23(21-11-4-5-12-22(21)32-25)28-26(30)18-7-2-1-3-8-18/h1-12,17,24H,13-16H2,(H,28,30)/t24-/m0/s1
InChIKeyBSWZKSCGDBFABO-DEOSSOPVSA-N
MW446.93 g/mol
LogP5.76
Rot. Bonds5

About N-[2-[(S)-(3-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide

N-[2-[(S)-(3-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide (PubChem CID 92501068) has the molecular formula C26H23ClN2O3 and a molecular weight of 446.93 g/mol. Its IUPAC name is N-[2-[(S)-(3-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-[(S)-(3-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
PubChem CID92501068
Molecular FormulaC26H23ClN2O3
Molecular Weight446.93 g/mol
Exact Mass446.14
IUPAC NameN-[2-[(S)-(3-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
SMILESO=C(Nc1c([C@H](c2cccc(Cl)c2)N2CCOCC2)oc2ccccc12)c1ccccc1
InChIInChI=1S/C26H23ClN2O3/c27-20-10-6-9-19(17-20)24(29-13-15-31-16-14-29)25-23(21-11-4-5-12-22(21)32-25)28-26(30)18-7-2-1-3-8-18/h1-12,17,24H,13-16H2,(H,28,30)/t24-/m0/s1
InChIKeyBSWZKSCGDBFABO-DEOSSOPVSA-N
XLogP5.76
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.93
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-methylsulfanylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 46270061
N-[2-[(R)-(3-fluorophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501081
N-[2-[(4-chlorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 20899146
N-[2-[(3-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 46270057
N-[2-[(R)-(2-methoxyphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide
CID 92501051
N-[2-[(4-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
CID 46269989
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-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]-4-methylbenzamide
CID 92765223
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-[(S)-(4-methylphenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]thiophene-2-carboxamide
CID 92501004

Frequently Asked Questions

What is the IUPAC name of N-[2-[(S)-(3-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide?
The IUPAC name of N-[2-[(S)-(3-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide (CID 92501068) is N-[2-[(S)-(3-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for N-[2-[(S)-(3-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide?
The canonical SMILES for N-[2-[(S)-(3-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide is O=C(Nc1c([C@H](c2cccc(Cl)c2)N2CCOCC2)oc2ccccc12)c1ccccc1.
What is the InChIKey of N-[2-[(S)-(3-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide?
The InChIKey is BSWZKSCGDBFABO-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H23ClN2O3/c27-20-10-6-9-19(17-20)24(29-13-15-31-16-14-29)25-23(21-11-4-5-12-22(21)32-25)28-26(30)18-7-2-1-3-8-18/h1-12,17,24H,13-16H2,(H,28,30)/t24-/m0/s1.
What are the key properties of N-[2-[(S)-(3-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide?
N-[2-[(S)-(3-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide has a molecular weight of 446.93 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(S)-(3-chlorophenyl)-morpholin-4-ylmethyl]-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 92501068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).