methyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate

C16H17FN2O3 — CID 11822850

IUPACmethyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]cc(-c2ccc(F)cc2)c1N1CCOCC1
InChIInChI=1S/C16H17FN2O3/c1-21-16(20)14-15(19-6-8-22-9-7-19)13(10-18-14)11-2-4-12(17)5-3-11/h2-5,10,18H,6-9H2,1H3
InChIKeyHXMBMPBCOZXDBD-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.44
Rot. Bonds3

About methyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate

methyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate (PubChem CID 11822850) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is methyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
PubChem CID11822850
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Namemethyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1[nH]cc(-c2ccc(F)cc2)c1N1CCOCC1
InChIInChI=1S/C16H17FN2O3/c1-21-16(20)14-15(19-6-8-22-9-7-19)13(10-18-14)11-2-4-12(17)5-3-11/h2-5,10,18H,6-9H2,1H3
InChIKeyHXMBMPBCOZXDBD-UHFFFAOYSA-N
XLogP2.44
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 110193884
methyl 4-(3-bromophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 10785031
4-(4-methoxyphenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 21479706
methyl 4-(4-chlorophenyl)-3-piperazin-1-yl-1H-pyrrole-2-carboxylate
CID 110193904
methyl (3-morpholin-4-yl-4-pyridin-4-yl-1H-pyrrol-2-yl) carbonate
CID 67620142
1-[4-(4-bromophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl]-2-phenylethanone
CID 110172467
methyl 4-[(2E,4Z)-6-bromohepta-2,4,6-trien-3-yl]-3-morpholin-4-yl-1H-pyrrole-2-carboxylate
CID 142928274
methyl 2-(4-bromophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate
CID 10690235
4-[4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine
CID 131890518
methyl 3-amino-2-morpholin-4-ylbenzoate
CID 112577589
methyl 2-[2-(4-fluorophenyl)ethenyl]-3-morpholin-4-ylbenzoate
CID 175443779
methyl 3-(4-fluorophenyl)thiophene-2-carboxylate
CID 90686203

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate (CID 11822850) is methyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate is COC(=O)c1[nH]cc(-c2ccc(F)cc2)c1N1CCOCC1.
What is the InChIKey of methyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate?
The InChIKey is HXMBMPBCOZXDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-21-16(20)14-15(19-6-8-22-9-7-19)13(10-18-14)11-2-4-12(17)5-3-11/h2-5,10,18H,6-9H2,1H3.
What are the key properties of methyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate?
methyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate has a molecular weight of 304.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluorophenyl)-3-morpholin-4-yl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 11822850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).