4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide

C13H15FN2O2 — CID 109388525

IUPAC4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide
SMILESCC(CO)N(C)C(=O)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C13H15FN2O2/c1-8(7-17)16(2)13(18)12-6-9-10(14)4-3-5-11(9)15-12/h3-6,8,15,17H,7H2,1-2H3
InChIKeyDCZKKPFYDCKWDY-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.76
Rot. Bonds3

About 4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide

4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide (PubChem CID 109388525) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide
PubChem CID109388525
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide
SMILESCC(CO)N(C)C(=O)c1cc2c(F)cccc2[nH]1
InChIInChI=1S/C13H15FN2O2/c1-8(7-17)16(2)13(18)12-6-9-10(14)4-3-5-11(9)15-12/h3-6,8,15,17H,7H2,1-2H3
InChIKeyDCZKKPFYDCKWDY-UHFFFAOYSA-N
XLogP1.76
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluoro-1H-indole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 119228216
6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide
CID 109388491
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
CID 55580692
N-(1-hydroxypropan-2-yl)-N-methyl-1H-pyrrole-2-carboxamide
CID 115765120
4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxamide
CID 36704751
N-[(4-ethoxyphenyl)methyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
CID 36711727
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-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-indole-2-carboxamide
CID 36702819
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-fluoro-N-methyl-1H-indole-2-carboxamide
CID 31936268
2-amino-1-(4-fluoro-1H-indol-2-yl)ethanone
CID 82402932
4-ethyl-N,N-dimethyl-1H-indole-2-carboxamide
CID 176933500

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide (CID 109388525) is 4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide is CC(CO)N(C)C(=O)c1cc2c(F)cccc2[nH]1.
What is the InChIKey of 4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide?
The InChIKey is DCZKKPFYDCKWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-8(7-17)16(2)13(18)12-6-9-10(14)4-3-5-11(9)15-12/h3-6,8,15,17H,7H2,1-2H3.
What are the key properties of 4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide?
4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide has a molecular weight of 250.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 109388525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).