1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(2-phenylethyl)pyrrole-2-carboxamide

C22H23FN2O — CID 42789570

IUPAC1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(2-phenylethyl)pyrrole-2-carboxamide
SMILESCc1cc(C)n(Cc2ccccc2F)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C22H23FN2O/c1-16-14-17(2)25(15-19-10-6-7-11-20(19)23)21(16)22(26)24-13-12-18-8-4-3-5-9-18/h3-11,14H,12-13,15H2,1-2H3,(H,24,26)
InChIKeyCGORMUVNYYEEQJ-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.26
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(2-phenylethyl)pyrrole-2-carboxamide

1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(2-phenylethyl)pyrrole-2-carboxamide (PubChem CID 42789570) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(2-phenylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(2-phenylethyl)pyrrole-2-carboxamide
PubChem CID42789570
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(2-phenylethyl)pyrrole-2-carboxamide
SMILESCc1cc(C)n(Cc2ccccc2F)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C22H23FN2O/c1-16-14-17(2)25(15-19-10-6-7-11-20(19)23)21(16)22(26)24-13-12-18-8-4-3-5-9-18/h3-11,14H,12-13,15H2,1-2H3,(H,24,26)
InChIKeyCGORMUVNYYEEQJ-UHFFFAOYSA-N
XLogP4.26
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)benzamide
CID 174954311
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912
2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide
CID 1109048
3-(3-fluoro-4-methylphenyl)-2-oxo-N-(2-phenylethyl)propanamide
CID 58065193
N-[(2-fluorophenyl)methyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109328531
N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383546
2,6,7-trimethyl-1-oxo-4-phenyl-N-(2-phenylethyl)isoquinoline-3-carboxamide
CID 21463261
1-[2-(2,6-difluorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 60541307
4-ethyl-1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 24718292
N-[2-(2-fluorophenyl)ethyl]-2-methyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109371828
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047171
3-(4-fluoro-3-methylphenyl)-N-(2-phenylethyl)prop-2-ynamide
CID 68941446

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(2-phenylethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(2-phenylethyl)pyrrole-2-carboxamide (CID 42789570) is 1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(2-phenylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(2-phenylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(2-phenylethyl)pyrrole-2-carboxamide is Cc1cc(C)n(Cc2ccccc2F)c1C(=O)NCCc1ccccc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(2-phenylethyl)pyrrole-2-carboxamide?
The InChIKey is CGORMUVNYYEEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c1-16-14-17(2)25(15-19-10-6-7-11-20(19)23)21(16)22(26)24-13-12-18-8-4-3-5-9-18/h3-11,14H,12-13,15H2,1-2H3,(H,24,26).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(2-phenylethyl)pyrrole-2-carboxamide?
1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(2-phenylethyl)pyrrole-2-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3,5-dimethyl-N-(2-phenylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 42789570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).