5-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide

C18H19FN2O2 — CID 118708598

IUPAC5-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCc1ccc(CN(C(=O)c2cc3cc(F)ccc3[nH]2)C(C)C)o1
InChIInChI=1S/C18H19FN2O2/c1-11(2)21(10-15-6-4-12(3)23-15)18(22)17-9-13-8-14(19)5-7-16(13)20-17/h4-9,11,20H,10H2,1-3H3
InChIKeyQRXJPJQSENMXRX-UHFFFAOYSA-N
MW314.36 g/mol
LogP4.26
Rot. Bonds4

About 5-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide

5-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide (PubChem CID 118708598) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 5-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide
PubChem CID118708598
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name5-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCc1ccc(CN(C(=O)c2cc3cc(F)ccc3[nH]2)C(C)C)o1
InChIInChI=1S/C18H19FN2O2/c1-11(2)21(10-15-6-4-12(3)23-15)18(22)17-9-13-8-14(19)5-7-16(13)20-17/h4-9,11,20H,10H2,1-3H3
InChIKeyQRXJPJQSENMXRX-UHFFFAOYSA-N
XLogP4.26
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide (CID 118708598) is 5-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide is Cc1ccc(CN(C(=O)c2cc3cc(F)ccc3[nH]2)C(C)C)o1.
What is the InChIKey of 5-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide?
The InChIKey is QRXJPJQSENMXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-11(2)21(10-15-6-4-12(3)23-15)18(22)17-9-13-8-14(19)5-7-16(13)20-17/h4-9,11,20H,10H2,1-3H3.
What are the key properties of 5-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide?
5-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 118708598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).