N-[3-(2-hydroxyethoxy)propyl]-1-methyl-5-(trifluoromethyl)indole-2-carboxamide

C16H19F3N2O3 — CID 110024013

IUPACN-[3-(2-hydroxyethoxy)propyl]-1-methyl-5-(trifluoromethyl)indole-2-carboxamide
SMILESCn1c(C(=O)NCCCOCCO)cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H19F3N2O3/c1-21-13-4-3-12(16(17,18)19)9-11(13)10-14(21)15(23)20-5-2-7-24-8-6-22/h3-4,9-10,22H,2,5-8H2,1H3,(H,20,23)
InChIKeyZQHSZCCSNIABJR-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.33
Rot. Bonds7

About N-[3-(2-hydroxyethoxy)propyl]-1-methyl-5-(trifluoromethyl)indole-2-carboxamide

N-[3-(2-hydroxyethoxy)propyl]-1-methyl-5-(trifluoromethyl)indole-2-carboxamide (PubChem CID 110024013) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is N-[3-(2-hydroxyethoxy)propyl]-1-methyl-5-(trifluoromethyl)indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethoxy)propyl]-1-methyl-5-(trifluoromethyl)indole-2-carboxamide
PubChem CID110024013
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC NameN-[3-(2-hydroxyethoxy)propyl]-1-methyl-5-(trifluoromethyl)indole-2-carboxamide
SMILESCn1c(C(=O)NCCCOCCO)cc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H19F3N2O3/c1-21-13-4-3-12(16(17,18)19)9-11(13)10-14(21)15(23)20-5-2-7-24-8-6-22/h3-4,9-10,22H,2,5-8H2,1H3,(H,20,23)
InChIKeyZQHSZCCSNIABJR-UHFFFAOYSA-N
XLogP2.33
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyethoxy)propyl]-1-methyl-5-(trifluoromethyl)indole-2-carboxamide?
The IUPAC name of N-[3-(2-hydroxyethoxy)propyl]-1-methyl-5-(trifluoromethyl)indole-2-carboxamide (CID 110024013) is N-[3-(2-hydroxyethoxy)propyl]-1-methyl-5-(trifluoromethyl)indole-2-carboxamide.
What is the SMILES notation for N-[3-(2-hydroxyethoxy)propyl]-1-methyl-5-(trifluoromethyl)indole-2-carboxamide?
The canonical SMILES for N-[3-(2-hydroxyethoxy)propyl]-1-methyl-5-(trifluoromethyl)indole-2-carboxamide is Cn1c(C(=O)NCCCOCCO)cc2cc(C(F)(F)F)ccc21.
What is the InChIKey of N-[3-(2-hydroxyethoxy)propyl]-1-methyl-5-(trifluoromethyl)indole-2-carboxamide?
The InChIKey is ZQHSZCCSNIABJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c1-21-13-4-3-12(16(17,18)19)9-11(13)10-14(21)15(23)20-5-2-7-24-8-6-22/h3-4,9-10,22H,2,5-8H2,1H3,(H,20,23).
What are the key properties of N-[3-(2-hydroxyethoxy)propyl]-1-methyl-5-(trifluoromethyl)indole-2-carboxamide?
N-[3-(2-hydroxyethoxy)propyl]-1-methyl-5-(trifluoromethyl)indole-2-carboxamide has a molecular weight of 344.33 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethoxy)propyl]-1-methyl-5-(trifluoromethyl)indole-2-carboxamide is sourced from PubChem (CID 110024013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).