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

C18H17FN2OS — CID 36704751

IUPAC4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide
SMILESCSc1ccc(CN(C)C(=O)c2cc3c(F)cccc3[nH]2)cc1
InChIInChI=1S/C18H17FN2OS/c1-21(11-12-6-8-13(23-2)9-7-12)18(22)17-10-14-15(19)4-3-5-16(14)20-17/h3-10,20H,11H2,1-2H3
InChIKeyPLORRQLDFYUTJH-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.30
Rot. Bonds4

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

4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 36704751) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID36704751
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC Name4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide
SMILESCSc1ccc(CN(C)C(=O)c2cc3c(F)cccc3[nH]2)cc1
InChIInChI=1S/C18H17FN2OS/c1-21(11-12-6-8-13(23-2)9-7-12)18(22)17-10-14-15(19)4-3-5-16(14)20-17/h3-10,20H,11H2,1-2H3
InChIKeyPLORRQLDFYUTJH-UHFFFAOYSA-N
XLogP4.30
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
CID 36711727
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
CID 55580692
4-fluoro-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide
CID 36702819
3-[(4-fluoro-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 119228216
4-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)-1H-indole-2-carboxamide
CID 110852607
4-fluoro-N-methyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide
CID 31401161
4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide
CID 109388525
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
CID 31936268
N-cyclopropyl-4-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 36746307
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
2-amino-1-(4-fluoro-1H-indol-2-yl)ethanone
CID 82402932
N-methyl-N-[(4-methylsulfanylphenyl)methyl]carbamoyl bromide
CID 115193789

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide (CID 36704751) is 4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide is CSc1ccc(CN(C)C(=O)c2cc3c(F)cccc3[nH]2)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is PLORRQLDFYUTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2OS/c1-21(11-12-6-8-13(23-2)9-7-12)18(22)17-10-14-15(19)4-3-5-16(14)20-17/h3-10,20H,11H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide?
4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 36704751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).