N-(cyclohexen-1-ylmethyl)-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide

C18H21FN2O — CID 70737035

IUPACN-(cyclohexen-1-ylmethyl)-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2c(F)cccc2c1CC(=O)NCC1=CCCCC1
InChIInChI=1S/C18H21FN2O/c1-12-15(14-8-5-9-16(19)18(14)21-12)10-17(22)20-11-13-6-3-2-4-7-13/h5-6,8-9,21H,2-4,7,10-11H2,1H3,(H,20,22)
InChIKeyGPVHRPRJWLNPHS-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.77
Rot. Bonds4

About N-(cyclohexen-1-ylmethyl)-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide

N-(cyclohexen-1-ylmethyl)-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide (PubChem CID 70737035) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide
PubChem CID70737035
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC NameN-(cyclohexen-1-ylmethyl)-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2c(F)cccc2c1CC(=O)NCC1=CCCCC1
InChIInChI=1S/C18H21FN2O/c1-12-15(14-8-5-9-16(19)18(14)21-12)10-17(22)20-11-13-6-3-2-4-7-13/h5-6,8-9,21H,2-4,7,10-11H2,1H3,(H,20,22)
InChIKeyGPVHRPRJWLNPHS-UHFFFAOYSA-N
XLogP3.77
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[[[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]methyl]thiophene-2-carboxylic acid
CID 72932073
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 70716419
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 50981953
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
CID 70709474
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 70765117
7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide
CID 110851268
(7-fluoro-2-methyl-1H-indol-3-yl)methanamine
CID 65335308
3-[2-(cyclohexen-1-yl)ethyl-methylsulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 113137549
N-(1,3-benzodioxol-5-ylmethyl)-7-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110851704
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 55713643
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]acetamide
CID 91791060
N-(2-aminoethyl)-2-(cyclohexen-1-yl)acetamide
CID 63564998

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-(cyclohexen-1-ylmethyl)-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide (CID 70737035) is N-(cyclohexen-1-ylmethyl)-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2c(F)cccc2c1CC(=O)NCC1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is GPVHRPRJWLNPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-12-15(14-8-5-9-16(19)18(14)21-12)10-17(22)20-11-13-6-3-2-4-7-13/h5-6,8-9,21H,2-4,7,10-11H2,1H3,(H,20,22).
What are the key properties of N-(cyclohexen-1-ylmethyl)-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide?
N-(cyclohexen-1-ylmethyl)-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 300.38 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 70737035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).