2,4,5-trimethyl-N-(3-pyrrol-1-ylphenyl)furan-3-carboxamide

C18H18N2O2 — CID 47093125

IUPAC2,4,5-trimethyl-N-(3-pyrrol-1-ylphenyl)furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2cccc(-n3cccc3)c2)c1C
InChIInChI=1S/C18H18N2O2/c1-12-13(2)22-14(3)17(12)18(21)19-15-7-6-8-16(11-15)20-9-4-5-10-20/h4-11H,1-3H3,(H,19,21)
InChIKeyJHPFAYNDWKBBQW-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.25
Rot. Bonds3

About 2,4,5-trimethyl-N-(3-pyrrol-1-ylphenyl)furan-3-carboxamide

2,4,5-trimethyl-N-(3-pyrrol-1-ylphenyl)furan-3-carboxamide (PubChem CID 47093125) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-(3-pyrrol-1-ylphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-(3-pyrrol-1-ylphenyl)furan-3-carboxamide
PubChem CID47093125
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2,4,5-trimethyl-N-(3-pyrrol-1-ylphenyl)furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2cccc(-n3cccc3)c2)c1C
InChIInChI=1S/C18H18N2O2/c1-12-13(2)22-14(3)17(12)18(21)19-15-7-6-8-16(11-15)20-9-4-5-10-20/h4-11H,1-3H3,(H,19,21)
InChIKeyJHPFAYNDWKBBQW-UHFFFAOYSA-N
XLogP4.25
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-pyrrol-1-ylphenyl)furan-2-carboxamide
CID 47158335
2,4,5-trimethyl-N-[3-[1-(methylamino)ethyl]phenyl]furan-3-carboxamide
CID 65151530
2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide
CID 46440798
N-[3-(diethylcarbamoyl)phenyl]-2,4,5-trimethylfuran-3-carboxamide
CID 51246740
N-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 26719667
2,4,5-trimethyl-N-(4-methylphenyl)furan-3-carboxamide
CID 26719687
2,4,5-trimethyl-N-(3-pyrimidin-2-yloxyphenyl)furan-3-carboxamide
CID 51090175
2,4,5-trimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 86928806
3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide
CID 110726291
3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide
CID 61248263
3-[[4-[(3-carboxyphenyl)carbamoyl]-2,5-dimethylfuran-3-carbonyl]amino]benzoic acid
CID 1267744
2-iodo-N-(3-pyrrol-1-ylphenyl)benzamide
CID 60732619

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-(3-pyrrol-1-ylphenyl)furan-3-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-(3-pyrrol-1-ylphenyl)furan-3-carboxamide (CID 47093125) is 2,4,5-trimethyl-N-(3-pyrrol-1-ylphenyl)furan-3-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-(3-pyrrol-1-ylphenyl)furan-3-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-(3-pyrrol-1-ylphenyl)furan-3-carboxamide is Cc1oc(C)c(C(=O)Nc2cccc(-n3cccc3)c2)c1C.
What is the InChIKey of 2,4,5-trimethyl-N-(3-pyrrol-1-ylphenyl)furan-3-carboxamide?
The InChIKey is JHPFAYNDWKBBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-13(2)22-14(3)17(12)18(21)19-15-7-6-8-16(11-15)20-9-4-5-10-20/h4-11H,1-3H3,(H,19,21).
What are the key properties of 2,4,5-trimethyl-N-(3-pyrrol-1-ylphenyl)furan-3-carboxamide?
2,4,5-trimethyl-N-(3-pyrrol-1-ylphenyl)furan-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-(3-pyrrol-1-ylphenyl)furan-3-carboxamide is sourced from PubChem (CID 47093125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).