N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide

C13H12F3N3O3 — CID 94652955

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESC[C@H](NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)C(N)=O
InChIInChI=1S/C13H12F3N3O3/c1-6(11(17)20)18-12(21)10-4-7-2-3-8(5-9(7)19-10)22-13(14,15)16/h2-6,19H,1H3,(H2,17,20)(H,18,21)/t6-/m0/s1
InChIKeyTZRKKBRYSRNJKL-LURJTMIESA-N
MW315.25 g/mol
LogP1.67
Rot. Bonds4

About N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide (PubChem CID 94652955) has the molecular formula C13H12F3N3O3 and a molecular weight of 315.25 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
PubChem CID94652955
Molecular FormulaC13H12F3N3O3
Molecular Weight315.25 g/mol
Exact Mass315.08
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESC[C@H](NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)C(N)=O
InChIInChI=1S/C13H12F3N3O3/c1-6(11(17)20)18-12(21)10-4-7-2-3-8(5-9(7)19-10)22-13(14,15)16/h2-6,19H,1H3,(H2,17,20)(H,18,21)/t6-/m0/s1
InChIKeyTZRKKBRYSRNJKL-LURJTMIESA-N
XLogP1.67
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-[[6-(trifluoromethoxy)-1H-indole-2-carbonyl]amino]pentanoic acid
CID 119204049
N-(3-phenylprop-2-ynyl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 87034067
6-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847855
N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide
CID 110833539
ethyl 2-[(6-fluoro-1H-indole-2-carbonyl)amino]propanoate
CID 16677025
cis-(1R,3S)-3-[[6-(trifluoromethoxy)-1H-indole-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677418
N-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 166236291
N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 86874853
N-[1-(2,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-2-carboxamide
CID 71897962
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 86875456
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 86881883
4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide
CID 86969214

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide (CID 94652955) is N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide is C[C@H](NC(=O)c1cc2ccc(OC(F)(F)F)cc2[nH]1)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
The InChIKey is TZRKKBRYSRNJKL-LURJTMIESA-N. The full InChI is InChI=1S/C13H12F3N3O3/c1-6(11(17)20)18-12(21)10-4-7-2-3-8(5-9(7)19-10)22-13(14,15)16/h2-6,19H,1H3,(H2,17,20)(H,18,21)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide has a molecular weight of 315.25 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide is sourced from PubChem (CID 94652955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).