N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide

C13H14F2N2O2 — CID 103082568

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCOCC(F)F)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H14F2N2O2/c14-12(15)8-19-6-5-16-13(18)11-7-9-3-1-2-4-10(9)17-11/h1-4,7,12,17H,5-6,8H2,(H,16,18)
InChIKeyRYYRVEGLHHYYBJ-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.18
Rot. Bonds6

About N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide

N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide (PubChem CID 103082568) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide
PubChem CID103082568
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide
SMILESO=C(NCCOCC(F)F)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H14F2N2O2/c14-12(15)8-19-6-5-16-13(18)11-7-9-3-1-2-4-10(9)17-11/h1-4,7,12,17H,5-6,8H2,(H,16,18)
InChIKeyRYYRVEGLHHYYBJ-UHFFFAOYSA-N
XLogP2.18
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
N-[3-(2,2,2-trifluoroethoxy)propyl]-1H-indole-2-carboxamide
CID 86930540
N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide
CID 115599717
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
N-[2-[2-(1,2,4-triazol-1-yl)ethoxy]ethyl]-1H-indole-2-carboxamide
CID 126855596
N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 42006153
N-[2-(prop-2-enoylamino)ethyl]-1H-indole-2-carboxamide
CID 146087723
N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 9374796
3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid
CID 114144333
methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298
N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide
CID 34509270
N-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide
CID 27802085

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide (CID 103082568) is N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide is O=C(NCCOCC(F)F)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide?
The InChIKey is RYYRVEGLHHYYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c14-12(15)8-19-6-5-16-13(18)11-7-9-3-1-2-4-10(9)17-11/h1-4,7,12,17H,5-6,8H2,(H,16,18).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide?
N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide has a molecular weight of 268.26 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 103082568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).