6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-2,3-dihydroindole-1-carboxamide

C18H25FN2O2 — CID 56800301

IUPAC6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-2,3-dihydroindole-1-carboxamide
SMILESCC1CCCCC1OCCNC(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C18H25FN2O2/c1-13-4-2-3-5-17(13)23-11-9-20-18(22)21-10-8-14-6-7-15(19)12-16(14)21/h6-7,12-13,17H,2-5,8-11H2,1H3,(H,20,22)
InChIKeyPLILOBVWCMGKMB-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.49
Rot. Bonds4

About 6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-2,3-dihydroindole-1-carboxamide

6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 56800301) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-2,3-dihydroindole-1-carboxamide
PubChem CID56800301
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-2,3-dihydroindole-1-carboxamide
SMILESCC1CCCCC1OCCNC(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C18H25FN2O2/c1-13-4-2-3-5-17(13)23-11-9-20-18(22)21-10-8-14-6-7-15(19)12-16(14)21/h6-7,12-13,17H,2-5,8-11H2,1H3,(H,20,22)
InChIKeyPLILOBVWCMGKMB-UHFFFAOYSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657660
1-[[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 103500013
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 95573046
2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
CID 103499852
4-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]pentanoic acid
CID 103500124
1-(6-fluoro-2,3-dihydroindole-1-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 103500021
1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one
CID 126779263
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
3-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]-2-methylbutanoic acid
CID 103499843
(2R)-2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]butanedioic acid
CID 103499983
(6-fluoro-2,3-dihydroindol-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 103822175
(6-fluoro-2,3-dihydroindol-1-yl)-(3-methylpiperidin-1-yl)methanone
CID 103494882

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-2,3-dihydroindole-1-carboxamide (CID 56800301) is 6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-2,3-dihydroindole-1-carboxamide is CC1CCCCC1OCCNC(=O)N1CCc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is PLILOBVWCMGKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-13-4-2-3-5-17(13)23-11-9-20-18(22)21-10-8-14-6-7-15(19)12-16(14)21/h6-7,12-13,17H,2-5,8-11H2,1H3,(H,20,22).
What are the key properties of 6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-2,3-dihydroindole-1-carboxamide?
6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(2-methylcyclohexyl)oxyethyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 56800301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).