N-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide

C16H17F3N2O3 — CID 166236291

IUPACN-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESO=C(NCCC1(CO)CC1)c1cc2ccc(OC(F)(F)F)cc2[nH]1
InChIInChI=1S/C16H17F3N2O3/c17-16(18,19)24-11-2-1-10-7-13(21-12(10)8-11)14(23)20-6-5-15(9-22)3-4-15/h1-2,7-8,21-22H,3-6,9H2,(H,20,23)
InChIKeyNONLJHVEUSKYRQ-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.96
Rot. Bonds6

About N-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide

N-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide (PubChem CID 166236291) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is N-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
PubChem CID166236291
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC NameN-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
SMILESO=C(NCCC1(CO)CC1)c1cc2ccc(OC(F)(F)F)cc2[nH]1
InChIInChI=1S/C16H17F3N2O3/c17-16(18,19)24-11-2-1-10-7-13(21-12(10)8-11)14(23)20-6-5-15(9-22)3-4-15/h1-2,7-8,21-22H,3-6,9H2,(H,20,23)
InChIKeyNONLJHVEUSKYRQ-UHFFFAOYSA-N
XLogP2.96
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 86874853
N-(3-phenylprop-2-ynyl)-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 87034067
cis-(1R,3S)-3-[[6-(trifluoromethoxy)-1H-indole-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677418
4-methyl-4-[[6-(trifluoromethoxy)-1H-indole-2-carbonyl]amino]pentanoic acid
CID 119204049
N-[(2S)-1-amino-1-oxopropan-2-yl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 94652955
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 86881883
3-fluoro-1-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119258701
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone
CID 128988322
N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide
CID 134003045
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)benzamide
CID 71796851
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
3-oxo-3-[5-(trifluoromethoxy)-1H-indol-2-yl]propanoic acid
CID 170887093

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide (CID 166236291) is N-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide is O=C(NCCC1(CO)CC1)c1cc2ccc(OC(F)(F)F)cc2[nH]1.
What is the InChIKey of N-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
The InChIKey is NONLJHVEUSKYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c17-16(18,19)24-11-2-1-10-7-13(21-12(10)8-11)14(23)20-6-5-15(9-22)3-4-15/h1-2,7-8,21-22H,3-6,9H2,(H,20,23).
What are the key properties of N-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide?
N-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(hydroxymethyl)cyclopropyl]ethyl]-6-(trifluoromethoxy)-1H-indole-2-carboxamide is sourced from PubChem (CID 166236291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).