1-[(4-fluorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrrole-2-carboxamide

C19H17FN2O2 — CID 177375499

IUPAC1-[(4-fluorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1cccn1Cc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2/c20-16-8-6-14(7-9-16)12-22-10-2-5-18(22)19(24)21-17-4-1-3-15(11-17)13-23/h1-11,23H,12-13H2,(H,21,24)
InChIKeyRYCTYVZOVFRZQR-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.42
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrrole-2-carboxamide

1-[(4-fluorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrrole-2-carboxamide (PubChem CID 177375499) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
PubChem CID177375499
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1cccn1Cc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O2/c20-16-8-6-14(7-9-16)12-22-10-2-5-18(22)19(24)21-17-4-1-3-15(11-17)13-23/h1-11,23H,12-13H2,(H,21,24)
InChIKeyRYCTYVZOVFRZQR-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 11839276
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CID 16194016
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CID 72697054
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CID 71007983
CID 71007983
CID 5834475
CID 5834475
CID 6012446
CID 6012446
CID 7046122
CID 7046122
CID 44568355
CID 44568355
CID 71765087
CID 71765087
CID 71765180
CID 71765180
CID 71765181
CID 71765181
CID 71765501
CID 71765501

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrrole-2-carboxamide (CID 177375499) is 1-[(4-fluorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrrole-2-carboxamide is O=C(Nc1cccc(CO)c1)c1cccn1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrrole-2-carboxamide?
The InChIKey is RYCTYVZOVFRZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-16-8-6-14(7-9-16)12-22-10-2-5-18(22)19(24)21-17-4-1-3-15(11-17)13-23/h1-11,23H,12-13H2,(H,21,24).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrrole-2-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrrole-2-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 3.42, 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-[3-(hydroxymethyl)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 177375499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).