methyl (2R,3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate

C18H16FNO2 — CID 132539188

IUPACmethyl (2R,3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate
SMILESCOC(=O)[C@@H]1N=C(c2ccccc2)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C18H16FNO2/c1-22-18(21)17-15(12-7-9-14(19)10-8-12)11-16(20-17)13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3/t15-,17-/m1/s1
InChIKeySOBGUGYIXGURRC-NVXWUHKLSA-N
MW297.33 g/mol
LogP3.34
Rot. Bonds3

About methyl (2R,3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate

methyl (2R,3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate (PubChem CID 132539188) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is methyl (2R,3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate
PubChem CID132539188
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Namemethyl (2R,3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate
SMILESCOC(=O)[C@@H]1N=C(c2ccccc2)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C18H16FNO2/c1-22-18(21)17-15(12-7-9-14(19)10-8-12)11-16(20-17)13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3/t15-,17-/m1/s1
InChIKeySOBGUGYIXGURRC-NVXWUHKLSA-N
XLogP3.34
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R,3R)-5-(4-fluorophenyl)-3-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 132539190
methyl (2R,3R)-5-phenyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 132539187
tert-butyl (2S)-3,5-diphenyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 138979616
methyl 5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 73115471
methyl (1R,6S)-4,6-bis(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 139078700
methyl 6-(4-fluorophenyl)-2,3-dimethyl-4-phenyl-2,3,4,5-tetrahydropyridine-5-carboxylate
CID 123406482
methyl 4-phenylpyrazolidine-3-carboxylate
CID 73198673
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
methyl (3R)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate
CID 40525014
methyl (2S,4S)-4-(2-phenylphenoxy)pyrrolidine-2-carboxylate;hydrochloride
CID 66523902
cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
CID 99991979
methyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 101261612

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
The IUPAC name of methyl (2R,3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate (CID 132539188) is methyl (2R,3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl (2R,3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
The canonical SMILES for methyl (2R,3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate is COC(=O)[C@@H]1N=C(c2ccccc2)C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of methyl (2R,3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
The InChIKey is SOBGUGYIXGURRC-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-22-18(21)17-15(12-7-9-14(19)10-8-12)11-16(20-17)13-5-3-2-4-6-13/h2-10,15,17H,11H2,1H3/t15-,17-/m1/s1.
What are the key properties of methyl (2R,3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
methyl (2R,3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate has a molecular weight of 297.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-(4-fluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate is sourced from PubChem (CID 132539188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).