4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide

C22H19FN2O3 — CID 51720308

IUPAC4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NC[C@H](O)c1ccccc1)c1cc2occc2n1Cc1ccccc1F
InChIInChI=1S/C22H19FN2O3/c23-17-9-5-4-8-16(17)14-25-18-10-11-28-21(18)12-19(25)22(27)24-13-20(26)15-6-2-1-3-7-15/h1-12,20,26H,13-14H2,(H,24,27)/t20-/m0/s1
InChIKeyBBAMODHPQQGEOB-FQEVSTJZSA-N
MW378.40 g/mol
LogP3.89
Rot. Bonds6

About 4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide

4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 51720308) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide
PubChem CID51720308
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NC[C@H](O)c1ccccc1)c1cc2occc2n1Cc1ccccc1F
InChIInChI=1S/C22H19FN2O3/c23-17-9-5-4-8-16(17)14-25-18-10-11-28-21(18)12-19(25)22(27)24-13-20(26)15-6-2-1-3-7-15/h1-12,20,26H,13-14H2,(H,24,27)/t20-/m0/s1
InChIKeyBBAMODHPQQGEOB-FQEVSTJZSA-N
XLogP3.89
TPSA67.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
CID 20883200
methyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 51718452
methyl (2S)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 51718453
4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790861
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-[(2,5-dimethylphenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 7201900
4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791069
4-[(3,4-difluorophenyl)methyl]-N-(4-phenylbutan-2-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790915
N-butan-2-yl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 75768838
N,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038882
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 4651741

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide (CID 51720308) is 4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide is O=C(NC[C@H](O)c1ccccc1)c1cc2occc2n1Cc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is BBAMODHPQQGEOB-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H19FN2O3/c23-17-9-5-4-8-16(17)14-25-18-10-11-28-21(18)12-19(25)22(27)24-13-20(26)15-6-2-1-3-7-15/h1-12,20,26H,13-14H2,(H,24,27)/t20-/m0/s1.
What are the key properties of 4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide?
4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 51720308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).