1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide

C24H21FN2O3 — CID 7306819

IUPAC1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccco3)c(C)n2-c2ccccc2F)cc1
InChIInChI=1S/C24H21FN2O3/c1-16-20(24(28)26-15-19-6-5-13-30-19)14-23(17-9-11-18(29-2)12-10-17)27(16)22-8-4-3-7-21(22)25/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyBMKZWIVEDROOSI-UHFFFAOYSA-N
MW404.44 g/mol
LogP5.12
Rot. Bonds6

About 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide

1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide (PubChem CID 7306819) has the molecular formula C24H21FN2O3 and a molecular weight of 404.44 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
PubChem CID7306819
Molecular FormulaC24H21FN2O3
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC Name1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccco3)c(C)n2-c2ccccc2F)cc1
InChIInChI=1S/C24H21FN2O3/c1-16-20(24(28)26-15-19-6-5-13-30-19)14-23(17-9-11-18(29-2)12-10-17)27(16)22-8-4-3-7-21(22)25/h3-14H,15H2,1-2H3,(H,26,28)
InChIKeyBMKZWIVEDROOSI-UHFFFAOYSA-N
XLogP5.12
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 7230397
1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 7230977
N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7307045
N-butyl-1-(2-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 7230351
N-[(4-fluorophenyl)methyl]-1-(2-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 42665713
N-(furan-2-ylmethyl)-2,4-dimethoxybenzamide
CID 3118683
1-(2-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 46532183
N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78773680
5-(4-methoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrrole-3-carboxamide
CID 42785508
N-(3,5-dimethoxyphenyl)-4-[1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazine-1-carboxamide
CID 3987229
(4-benzylpiperidin-1-yl)-[1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methanone
CID 42785490
1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3731735

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide (CID 7306819) is 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide is COc1ccc(-c2cc(C(=O)NCc3ccco3)c(C)n2-c2ccccc2F)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is BMKZWIVEDROOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3/c1-16-20(24(28)26-15-19-6-5-13-30-19)14-23(17-9-11-18(29-2)12-10-17)27(16)22-8-4-3-7-21(22)25/h3-14H,15H2,1-2H3,(H,26,28).
What are the key properties of 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide?
1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 404.44 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 7306819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).