1-[(4-fluorophenyl)methyl]-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide

C19H17FN2O2 — CID 177375496

IUPAC1-[(4-fluorophenyl)methyl]-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide
SMILESO=C(NCc1ccc(O)cc1)c1cccn1Cc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2/c20-16-7-3-15(4-8-16)13-22-11-1-2-18(22)19(24)21-12-14-5-9-17(23)10-6-14/h1-11,23H,12-13H2,(H,21,24)
InChIKeyINOHHWVNGKMKOA-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.31
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide

1-[(4-fluorophenyl)methyl]-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide (PubChem CID 177375496) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide
PubChem CID177375496
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide
SMILESO=C(NCc1ccc(O)cc1)c1cccn1Cc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2/c20-16-7-3-15(4-8-16)13-22-11-1-2-18(22)19(24)21-12-14-5-9-17(23)10-6-14/h1-11,23H,12-13H2,(H,21,24)
InChIKeyINOHHWVNGKMKOA-UHFFFAOYSA-N
XLogP3.31
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide (CID 177375496) is 1-[(4-fluorophenyl)methyl]-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide is O=C(NCc1ccc(O)cc1)c1cccn1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide?
The InChIKey is INOHHWVNGKMKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-16-7-3-15(4-8-16)13-22-11-1-2-18(22)19(24)21-12-14-5-9-17(23)10-6-14/h1-11,23H,12-13H2,(H,21,24).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[(4-hydroxyphenyl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 177375496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).