methyl 5-[2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C20H23FN2O4 — CID 30891485

IUPACmethyl 5-[2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)c1C
InChIInChI=1S/C20H23FN2O4/c1-12-18(20(25)26-3)13(2)22-19(12)16(24)10-23-8-9-27-17(11-23)14-4-6-15(21)7-5-14/h4-7,17,22H,8-11H2,1-3H3/t17-/m0/s1
InChIKeyFFIIDGLKELIUES-KRWDZBQOSA-N
MW374.41 g/mol
LogP2.81
Rot. Bonds5

About methyl 5-[2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

methyl 5-[2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 30891485) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is methyl 5-[2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID30891485
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Namemethyl 5-[2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)c1C
InChIInChI=1S/C20H23FN2O4/c1-12-18(20(25)26-3)13(2)22-19(12)16(24)10-23-8-9-27-17(11-23)14-4-6-15(21)7-5-14/h4-7,17,22H,8-11H2,1-3H3/t17-/m0/s1
InChIKeyFFIIDGLKELIUES-KRWDZBQOSA-N
XLogP2.81
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[2-[2-(4-fluorophenyl)morpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 43065694
ethyl 5-[2-[2-(4-fluorophenyl)morpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 43065686
methyl 5-[2-(4-benzylpiperazin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 4849232
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methylcyclohexyl)acetamide
CID 42949577
2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 36737398
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
N-(4-acetylphenyl)-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 36737265
methyl 5-[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8591527
methyl 2,4-dimethyl-5-[2-(2-phenylpyrrolidin-1-yl)acetyl]-1H-pyrrole-3-carboxylate
CID 18137779
methyl 2,4-dimethyl-5-[2-[(2S)-2-phenylpyrrolidin-1-yl]acetyl]-1H-pyrrole-3-carboxylate
CID 41456256
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 119041161
N-cyclopropyl-N-[(1R)-1-cyclopropylethyl]-2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 124507515

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 30891485) is methyl 5-[2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)c1C.
What is the InChIKey of methyl 5-[2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is FFIIDGLKELIUES-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-12-18(20(25)26-3)13(2)22-19(12)16(24)10-23-8-9-27-17(11-23)14-4-6-15(21)7-5-14/h4-7,17,22H,8-11H2,1-3H3/t17-/m0/s1.
What are the key properties of methyl 5-[2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
methyl 5-[2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 374.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 30891485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).