4-acetyl-N-[furan-2-yl(phenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

C20H20N2O3 — CID 134029345

IUPAC4-acetyl-N-[furan-2-yl(phenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NC(c2ccccc2)c2ccco2)c1C
InChIInChI=1S/C20H20N2O3/c1-12-17(14(3)23)13(2)21-18(12)20(24)22-19(16-10-7-11-25-16)15-8-5-4-6-9-15/h4-11,19,21H,1-3H3,(H,22,24)
InChIKeyQGRJHJANUXTIDB-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.95
Rot. Bonds5

About 4-acetyl-N-[furan-2-yl(phenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[furan-2-yl(phenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 134029345) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-acetyl-N-[furan-2-yl(phenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[furan-2-yl(phenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID134029345
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name4-acetyl-N-[furan-2-yl(phenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NC(c2ccccc2)c2ccco2)c1C
InChIInChI=1S/C20H20N2O3/c1-12-17(14(3)23)13(2)21-18(12)20(24)22-19(16-10-7-11-25-16)15-8-5-4-6-9-15/h4-11,19,21H,1-3H3,(H,22,24)
InChIKeyQGRJHJANUXTIDB-UHFFFAOYSA-N
XLogP3.95
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-3,5-dimethyl-N-(2-methyl-1-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 46530467
4-acetyl-3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 36947323
4-acetyl-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 95325019
4-acetyl-N-[4-(furan-2-yl)butan-2-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 18136913
ethyl 5-(benzhydrylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7930994
N-[(R)-furan-2-yl(phenyl)methyl]-3,5-dimethylbenzamide
CID 8928204
4-acetyl-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 47082113
2,6-difluoro-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134028235
(2R)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 8755570
[furan-2-yl(phenyl)methyl]urea
CID 14906081
1-phenylethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 16500468
4-(dimethylamino)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134029302

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[furan-2-yl(phenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[furan-2-yl(phenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 134029345) is 4-acetyl-N-[furan-2-yl(phenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[furan-2-yl(phenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[furan-2-yl(phenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)NC(c2ccccc2)c2ccco2)c1C.
What is the InChIKey of 4-acetyl-N-[furan-2-yl(phenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is QGRJHJANUXTIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12-17(14(3)23)13(2)21-18(12)20(24)22-19(16-10-7-11-25-16)15-8-5-4-6-9-15/h4-11,19,21H,1-3H3,(H,22,24).
What are the key properties of 4-acetyl-N-[furan-2-yl(phenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[furan-2-yl(phenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[furan-2-yl(phenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 134029345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).