5-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide

C19H20N2O2 — CID 3839367

IUPAC5-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide
SMILESCc1ccc(-c2cc(C(N)=O)c(C)n2Cc2ccco2)c(C)c1
InChIInChI=1S/C19H20N2O2/c1-12-6-7-16(13(2)9-12)18-10-17(19(20)22)14(3)21(18)11-15-5-4-8-23-15/h4-10H,11H2,1-3H3,(H2,20,22)
InChIKeyRSHHFNYLAQTHRX-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.82
Rot. Bonds4

About 5-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide

5-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide (PubChem CID 3839367) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide
PubChem CID3839367
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name5-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide
SMILESCc1ccc(-c2cc(C(N)=O)c(C)n2Cc2ccco2)c(C)c1
InChIInChI=1S/C19H20N2O2/c1-12-6-7-16(13(2)9-12)18-10-17(19(20)22)14(3)21(18)11-15-5-4-8-23-15/h4-10H,11H2,1-3H3,(H2,20,22)
InChIKeyRSHHFNYLAQTHRX-UHFFFAOYSA-N
XLogP3.82
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-difluorophenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide
CID 4665187
1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3731735
1-(furan-2-ylmethyl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide
CID 3346250
1-(furan-2-ylmethyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3844613
5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide
CID 3848823
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
[(2S)-1-amino-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8732292
3-(2,4-dimethylphenyl)-4-ethylsulfanyl-1-(furan-2-ylmethyl)pyrrole-2,5-dione
CID 110578265
1-(2,4-dimethylphenyl)-2-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 7549292
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-methylbenzoate
CID 2659530
1-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]pyridin-1-ium-3-carboxamide
CID 8831887
4-[2-[4-carbamoyl-1-(furan-2-ylmethyl)-5-methylpyrrol-2-yl]-2-oxoethyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 134083400

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide?
The IUPAC name of 5-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide (CID 3839367) is 5-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide is Cc1ccc(-c2cc(C(N)=O)c(C)n2Cc2ccco2)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide?
The InChIKey is RSHHFNYLAQTHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-12-6-7-16(13(2)9-12)18-10-17(19(20)22)14(3)21(18)11-15-5-4-8-23-15/h4-10H,11H2,1-3H3,(H2,20,22).
What are the key properties of 5-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide?
5-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-1-(furan-2-ylmethyl)-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 3839367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).