N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxamide

C18H16N2O4 — CID 1485173

IUPACN-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxamide
SMILESCOc1cccc(C(=O)c2c[nH]c(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C18H16N2O4/c1-23-14-5-2-4-12(8-14)17(21)13-9-16(19-10-13)18(22)20-11-15-6-3-7-24-15/h2-10,19H,11H2,1H3,(H,20,22)
InChIKeyJEQDLBVKDLQUDK-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.78
Rot. Bonds6

About N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxamide

N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxamide (PubChem CID 1485173) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxamide
PubChem CID1485173
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxamide
SMILESCOc1cccc(C(=O)c2c[nH]c(C(=O)NCc3ccco3)c2)c1
InChIInChI=1S/C18H16N2O4/c1-23-14-5-2-4-12(8-14)17(21)13-9-16(19-10-13)18(22)20-11-15-6-3-7-24-15/h2-10,19H,11H2,1H3,(H,20,22)
InChIKeyJEQDLBVKDLQUDK-UHFFFAOYSA-N
XLogP2.78
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxamide (CID 1485173) is N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxamide is COc1cccc(C(=O)c2c[nH]c(C(=O)NCc3ccco3)c2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxamide?
The InChIKey is JEQDLBVKDLQUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-23-14-5-2-4-12(8-14)17(21)13-9-16(19-10-13)18(22)20-11-15-6-3-7-24-15/h2-10,19H,11H2,1H3,(H,20,22).
What are the key properties of N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxamide?
N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-(3-methoxybenzoyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1485173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).