methyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate

C24H21FN2O4 — CID 51718452

IUPACmethyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc2occc2n1Cc1ccccc1F
InChIInChI=1S/C24H21FN2O4/c1-30-24(29)19(13-16-7-3-2-4-8-16)26-23(28)21-14-22-20(11-12-31-22)27(21)15-17-9-5-6-10-18(17)25/h2-12,14,19H,13,15H2,1H3,(H,26,28)/t19-/m1/s1
InChIKeyIOAIJXCSWQZGKQ-LJQANCHMSA-N
MW420.44 g/mol
LogP3.94
Rot. Bonds7

About methyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate

methyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate (PubChem CID 51718452) has the molecular formula C24H21FN2O4 and a molecular weight of 420.44 g/mol. Its IUPAC name is methyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
PubChem CID51718452
Molecular FormulaC24H21FN2O4
Molecular Weight420.44 g/mol
Exact Mass420.15
IUPAC Namemethyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc2occc2n1Cc1ccccc1F
InChIInChI=1S/C24H21FN2O4/c1-30-24(29)19(13-16-7-3-2-4-8-16)26-23(28)21-14-22-20(11-12-31-22)27(21)15-17-9-5-6-10-18(17)25/h2-12,14,19H,13,15H2,1H3,(H,26,28)/t19-/m1/s1
InChIKeyIOAIJXCSWQZGKQ-LJQANCHMSA-N
XLogP3.94
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate 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 (2S)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 51718453
methyl 2-[[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 75769582
4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide
CID 51720308
methyl (2R)-2-[(4-benzylfuro[3,2-b]pyrrole-5-carbonyl)amino]-3-methylbutanoate
CID 51974065
4-[(3,4-difluorophenyl)methyl]-N-(4-phenylbutan-2-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790915
methyl 2-[(2-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoate
CID 3831321
4-[(2-fluorophenyl)methyl]-N-(1,3-thiazol-2-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 45491439
4-[(2-fluorophenyl)methyl]-N-pyridin-3-ylfuro[3,2-b]pyrrole-5-carboxamide
CID 45495719
4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790861
methyl 2-[[4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 75769576
methyl (2S)-2-[(3,4-difluorobenzoyl)amino]-3-phenylpropanoate
CID 38031742
4-[(2,5-dimethylphenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 7201900

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate (CID 51718452) is methyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate is COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc2occc2n1Cc1ccccc1F.
What is the InChIKey of methyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate?
The InChIKey is IOAIJXCSWQZGKQ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H21FN2O4/c1-30-24(29)19(13-16-7-3-2-4-8-16)26-23(28)21-14-22-20(11-12-31-22)27(21)15-17-9-5-6-10-18(17)25/h2-12,14,19H,13,15H2,1H3,(H,26,28)/t19-/m1/s1.
What are the key properties of methyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate?
methyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate has a molecular weight of 420.44 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 51718452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).