N-[(4-ethoxyphenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide

C19H19FN2O2 — CID 36711727

IUPACN-[(4-ethoxyphenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)c2cc3c(F)cccc3[nH]2)cc1
InChIInChI=1S/C19H19FN2O2/c1-3-24-14-9-7-13(8-10-14)12-22(2)19(23)18-11-15-16(20)5-4-6-17(15)21-18/h4-11,21H,3,12H2,1-2H3
InChIKeyKFJUVRRKUMKEEE-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.98
Rot. Bonds5

About N-[(4-ethoxyphenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide

N-[(4-ethoxyphenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide (PubChem CID 36711727) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
PubChem CID36711727
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-[(4-ethoxyphenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
SMILESCCOc1ccc(CN(C)C(=O)c2cc3c(F)cccc3[nH]2)cc1
InChIInChI=1S/C19H19FN2O2/c1-3-24-14-9-7-13(8-10-14)12-22(2)19(23)18-11-15-16(20)5-4-6-17(15)21-18/h4-11,21H,3,12H2,1-2H3
InChIKeyKFJUVRRKUMKEEE-UHFFFAOYSA-N
XLogP3.98
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide
CID 36704751
4-fluoro-N-methyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide
CID 31401161
4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide
CID 36702819
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
CID 55580692
4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-2-carboxamide
CID 110852607
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402
3-[(4-fluoro-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 119228216
4-(4-ethoxyphenyl)-1H-indole-2-carboxylic acid
CID 66841435
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
CID 31936268
N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 78780692
5-ethoxy-N-methyl-N-(quinolin-5-ylmethyl)-1H-indole-2-carboxamide
CID 46954671

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide (CID 36711727) is N-[(4-ethoxyphenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide is CCOc1ccc(CN(C)C(=O)c2cc3c(F)cccc3[nH]2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide?
The InChIKey is KFJUVRRKUMKEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-3-24-14-9-7-13(8-10-14)12-22(2)19(23)18-11-15-16(20)5-4-6-17(15)21-18/h4-11,21H,3,12H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide?
N-[(4-ethoxyphenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 36711727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).