N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide

C23H24ClN3O2 — CID 55609911

IUPACN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NCC(c1ccccc1Cl)N1CCOCC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C23H24ClN3O2/c24-21-6-2-1-5-20(21)22(27-13-15-29-16-14-27)17-25-23(28)18-7-9-19(10-8-18)26-11-3-4-12-26/h1-12,22H,13-17H2,(H,25,28)
InChIKeyOGYXGPFQZQQILD-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.93
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide (PubChem CID 55609911) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide
PubChem CID55609911
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC NameN-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide
SMILESO=C(NCC(c1ccccc1Cl)N1CCOCC1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C23H24ClN3O2/c24-21-6-2-1-5-20(21)22(27-13-15-29-16-14-27)17-25-23(28)18-7-9-19(10-8-18)26-11-3-4-12-26/h1-12,22H,13-17H2,(H,25,28)
InChIKeyOGYXGPFQZQQILD-UHFFFAOYSA-N
XLogP3.93
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide (CID 55609911) is N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide is O=C(NCC(c1ccccc1Cl)N1CCOCC1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is OGYXGPFQZQQILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c24-21-6-2-1-5-20(21)22(27-13-15-29-16-14-27)17-25-23(28)18-7-9-19(10-8-18)26-11-3-4-12-26/h1-12,22H,13-17H2,(H,25,28).
What are the key properties of N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide?
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 409.92 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 55609911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).