methyl 1-benzoyl-4-(4-chlorophenyl)-3-morpholin-4-ylpyrrole-2-carboxylate

C23H21ClN2O4 — CID 570371

IUPACmethyl 1-benzoyl-4-(4-chlorophenyl)-3-morpholin-4-ylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(N2CCOCC2)c(-c2ccc(Cl)cc2)cn1C(=O)c1ccccc1
InChIInChI=1S/C23H21ClN2O4/c1-29-23(28)21-20(25-11-13-30-14-12-25)19(16-7-9-18(24)10-8-16)15-26(21)22(27)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKeyWANMFPPZXXBREV-UHFFFAOYSA-N
MW424.88 g/mol
LogP4.12
Rot. Bonds4

About methyl 1-benzoyl-4-(4-chlorophenyl)-3-morpholin-4-ylpyrrole-2-carboxylate

methyl 1-benzoyl-4-(4-chlorophenyl)-3-morpholin-4-ylpyrrole-2-carboxylate (PubChem CID 570371) has the molecular formula C23H21ClN2O4 and a molecular weight of 424.88 g/mol. Its IUPAC name is methyl 1-benzoyl-4-(4-chlorophenyl)-3-morpholin-4-ylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzoyl-4-(4-chlorophenyl)-3-morpholin-4-ylpyrrole-2-carboxylate
PubChem CID570371
Molecular FormulaC23H21ClN2O4
Molecular Weight424.88 g/mol
Exact Mass424.12
IUPAC Namemethyl 1-benzoyl-4-(4-chlorophenyl)-3-morpholin-4-ylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(N2CCOCC2)c(-c2ccc(Cl)cc2)cn1C(=O)c1ccccc1
InChIInChI=1S/C23H21ClN2O4/c1-29-23(28)21-20(25-11-13-30-14-12-25)19(16-7-9-18(24)10-8-16)15-26(21)22(27)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKeyWANMFPPZXXBREV-UHFFFAOYSA-N
XLogP4.12
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-benzoyl-4-(4-chlorophenyl)-3-morpholin-4-ylpyrrole-2-carboxylate?
The IUPAC name of methyl 1-benzoyl-4-(4-chlorophenyl)-3-morpholin-4-ylpyrrole-2-carboxylate (CID 570371) is methyl 1-benzoyl-4-(4-chlorophenyl)-3-morpholin-4-ylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-benzoyl-4-(4-chlorophenyl)-3-morpholin-4-ylpyrrole-2-carboxylate?
The canonical SMILES for methyl 1-benzoyl-4-(4-chlorophenyl)-3-morpholin-4-ylpyrrole-2-carboxylate is COC(=O)c1c(N2CCOCC2)c(-c2ccc(Cl)cc2)cn1C(=O)c1ccccc1.
What is the InChIKey of methyl 1-benzoyl-4-(4-chlorophenyl)-3-morpholin-4-ylpyrrole-2-carboxylate?
The InChIKey is WANMFPPZXXBREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4/c1-29-23(28)21-20(25-11-13-30-14-12-25)19(16-7-9-18(24)10-8-16)15-26(21)22(27)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3.
What are the key properties of methyl 1-benzoyl-4-(4-chlorophenyl)-3-morpholin-4-ylpyrrole-2-carboxylate?
methyl 1-benzoyl-4-(4-chlorophenyl)-3-morpholin-4-ylpyrrole-2-carboxylate has a molecular weight of 424.88 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzoyl-4-(4-chlorophenyl)-3-morpholin-4-ylpyrrole-2-carboxylate is sourced from PubChem (CID 570371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).