4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide

C17H15FN2O2 — CID 32639423

IUPAC4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide
SMILESCOCc1cccc(NC(=O)c2cc3c(F)cccc3[nH]2)c1
InChIInChI=1S/C17H15FN2O2/c1-22-10-11-4-2-5-12(8-11)19-17(21)16-9-13-14(18)6-3-7-15(13)20-16/h2-9,20H,10H2,1H3,(H,19,21)
InChIKeyGERMOUCWRZIPLM-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.71
Rot. Bonds4

About 4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide

4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide (PubChem CID 32639423) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide
PubChem CID32639423
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide
SMILESCOCc1cccc(NC(=O)c2cc3c(F)cccc3[nH]2)c1
InChIInChI=1S/C17H15FN2O2/c1-22-10-11-4-2-5-12(8-11)19-17(21)16-9-13-14(18)6-3-7-15(13)20-16/h2-9,20H,10H2,1H3,(H,19,21)
InChIKeyGERMOUCWRZIPLM-UHFFFAOYSA-N
XLogP3.71
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-1H-indole-2-carboxamide
CID 60552905
N-[3-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-2-carboxamide
CID 107261705
2-fluoro-6-hydroxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 104916789
N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide
CID 36852655
4-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 63213049
methyl 2-[(4-fluoro-1H-indole-2-carbonyl)amino]acetate
CID 47153631
N-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide
CID 36800098
4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide
CID 36817888
N-[3-(cyclopropylcarbamoyl)phenyl]-4-fluoro-1H-indole-2-carboxamide
CID 31401736
4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 36865190
N-(3-fluorophenyl)-3-(methoxymethyl)benzamide
CID 17462584
2-fluoro-N-[3-(methoxymethyl)phenyl]-3-methylbenzamide
CID 80718071

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide (CID 32639423) is 4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide is COCc1cccc(NC(=O)c2cc3c(F)cccc3[nH]2)c1.
What is the InChIKey of 4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is GERMOUCWRZIPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-22-10-11-4-2-5-12(8-11)19-17(21)16-9-13-14(18)6-3-7-15(13)20-16/h2-9,20H,10H2,1H3,(H,19,21).
What are the key properties of 4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide?
4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 32639423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).