1-(2,2-difluoroethyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide

C15H16F2N2O2 — CID 114609356

IUPAC1-(2,2-difluoroethyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
SMILESCN(Cc1ccc(O)cc1)C(=O)c1cccn1CC(F)F
InChIInChI=1S/C15H16F2N2O2/c1-18(9-11-4-6-12(20)7-5-11)15(21)13-3-2-8-19(13)10-14(16)17/h2-8,14,20H,9-10H2,1H3
InChIKeyIQMAKDKUPGRMTB-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.73
Rot. Bonds5

About 1-(2,2-difluoroethyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide

1-(2,2-difluoroethyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide (PubChem CID 114609356) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
PubChem CID114609356
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name1-(2,2-difluoroethyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
SMILESCN(Cc1ccc(O)cc1)C(=O)c1cccn1CC(F)F
InChIInChI=1S/C15H16F2N2O2/c1-18(9-11-4-6-12(20)7-5-11)15(21)13-3-2-8-19(13)10-14(16)17/h2-8,14,20H,9-10H2,1H3
InChIKeyIQMAKDKUPGRMTB-UHFFFAOYSA-N
XLogP2.73
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide (CID 114609356) is 1-(2,2-difluoroethyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide is CN(Cc1ccc(O)cc1)C(=O)c1cccn1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide?
The InChIKey is IQMAKDKUPGRMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-18(9-11-4-6-12(20)7-5-11)15(21)13-3-2-8-19(13)10-14(16)17/h2-8,14,20H,9-10H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide?
1-(2,2-difluoroethyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide has a molecular weight of 294.30 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide is sourced from PubChem (CID 114609356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).