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

C17H13FN2O3 — CID 1485172

IUPAC4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1ccc(F)cc1)c1c[nH]c(C(=O)NCc2ccco2)c1
InChIInChI=1S/C17H13FN2O3/c18-13-5-3-11(4-6-13)16(21)12-8-15(19-9-12)17(22)20-10-14-2-1-7-23-14/h1-9,19H,10H2,(H,20,22)
InChIKeyNNYZQMQORPDXSM-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.91
Rot. Bonds5

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

4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 1485172) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID1485172
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1ccc(F)cc1)c1c[nH]c(C(=O)NCc2ccco2)c1
InChIInChI=1S/C17H13FN2O3/c18-13-5-3-11(4-6-13)16(21)12-8-15(19-9-12)17(22)20-10-14-2-1-7-23-14/h1-9,19H,10H2,(H,20,22)
InChIKeyNNYZQMQORPDXSM-UHFFFAOYSA-N
XLogP2.91
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide (CID 1485172) is 4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(c1ccc(F)cc1)c1c[nH]c(C(=O)NCc2ccco2)c1.
What is the InChIKey of 4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is NNYZQMQORPDXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c18-13-5-3-11(4-6-13)16(21)12-8-15(19-9-12)17(22)20-10-14-2-1-7-23-14/h1-9,19H,10H2,(H,20,22).
What are the key properties of 4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1485172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).