2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide

C18H23FN2O2 — CID 111460381

IUPAC2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C18H23FN2O2/c1-11-15(16-8-13(19)5-6-17(16)21-11)9-18(23)20-10-12-3-2-4-14(22)7-12/h5-6,8,12,14,21-22H,2-4,7,9-10H2,1H3,(H,20,23)
InChIKeyHRGNRTYSVFDLIY-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.83
Rot. Bonds4

About 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide

2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide (PubChem CID 111460381) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide
PubChem CID111460381
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C18H23FN2O2/c1-11-15(16-8-13(19)5-6-17(16)21-11)9-18(23)20-10-12-3-2-4-14(22)7-12/h5-6,8,12,14,21-22H,2-4,7,9-10H2,1H3,(H,20,23)
InChIKeyHRGNRTYSVFDLIY-UHFFFAOYSA-N
XLogP2.83
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(4-Fluorophenyl)-N,N-dihexyl-1H-indole-3-acetamide
CID 132496
CK-666
CID 589075
3-(4-fluorophenylethylamino)-1-methyl-4-(2-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 25209788
(4S,5S)-5-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-4-hydroxy-N-[1H-indol-2-yl(phenyl)methyl]-6-phenylhexanamide
CID 462818
N-Hexyl-2-phenyl-1H-indole-3-acetamide
CID 10065495
N,N-Dihexyl-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10454732
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
N,N-Diethyl-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 9995335
N,N-Dimethyl-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10446279
2-(2-phenyl-1H-indol-3-yl)-N,N-dipropyl-acetamide
CID 10449567
2,2,2-trifluoroethyl 2-({[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]amino}carbonyl)cyclohexanecarboxylate
CID 3525483
2,2,2-trifluoroethyl 2-({[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]amino}carbonyl)cyclohexanecarboxylate
CID 5200879

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide (CID 111460381) is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide is Cc1[nH]c2ccc(F)cc2c1CC(=O)NCC1CCCC(O)C1.
What is the InChIKey of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is HRGNRTYSVFDLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-11-15(16-8-13(19)5-6-17(16)21-11)9-18(23)20-10-12-3-2-4-14(22)7-12/h5-6,8,12,14,21-22H,2-4,7,9-10H2,1H3,(H,20,23).
What are the key properties of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide?
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 318.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 111460381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).