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

C16H15FN2O2 — CID 118708590

IUPAC5-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)o1
InChIInChI=1S/C16H15FN2O2/c1-10-3-5-13(21-10)9-19(2)16(20)15-8-11-7-12(17)4-6-14(11)18-15/h3-8,18H,9H2,1-2H3
InChIKeyRRQCZGAPYJCYMB-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.48
Rot. Bonds3

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

5-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 118708590) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide
PubChem CID118708590
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name5-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)o1
InChIInChI=1S/C16H15FN2O2/c1-10-3-5-13(21-10)9-19(2)16(20)15-8-11-7-12(17)4-6-14(11)18-15/h3-8,18H,9H2,1-2H3
InChIKeyRRQCZGAPYJCYMB-UHFFFAOYSA-N
XLogP3.48
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide
CID 36702819
N-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide
CID 17019825
3-[(5-fluoro-1H-indole-2-carbonyl)-methylamino]propanoic acid
CID 110834896
5-methyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 118708596
methyl 4-[[(5-fluoro-1H-indole-2-carbonyl)-methylamino]methyl]benzoate
CID 37411683
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 37137994
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
CID 56809035
5-fluoro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1H-indole-2-carboxamide
CID 137278210
CID 156649576
CID 156649576
2-(4-fluorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78784494
3-[5-fluoro-2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 18160431
N,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103696217

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide (CID 118708590) is 5-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide is Cc1ccc(CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)o1.
What is the InChIKey of 5-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is RRQCZGAPYJCYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-10-3-5-13(21-10)9-19(2)16(20)15-8-11-7-12(17)4-6-14(11)18-15/h3-8,18H,9H2,1-2H3.
What are the key properties of 5-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide?
5-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 286.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 118708590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).