N-(4-chloro-1-methylindol-3-yl)-3-cyclohexylpropanamide

C18H23ClN2O — CID 46940686

IUPACN-(4-chloro-1-methylindol-3-yl)-3-cyclohexylpropanamide
SMILESCn1cc(NC(=O)CCC2CCCCC2)c2c(Cl)cccc21
InChIInChI=1S/C18H23ClN2O/c1-21-12-15(18-14(19)8-5-9-16(18)21)20-17(22)11-10-13-6-3-2-4-7-13/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3,(H,20,22)
InChIKeyOABNVPUYZRLOCL-UHFFFAOYSA-N
MW318.85 g/mol
LogP5.13
Rot. Bonds4

About N-(4-chloro-1-methylindol-3-yl)-3-cyclohexylpropanamide

N-(4-chloro-1-methylindol-3-yl)-3-cyclohexylpropanamide (PubChem CID 46940686) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is N-(4-chloro-1-methylindol-3-yl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-1-methylindol-3-yl)-3-cyclohexylpropanamide
PubChem CID46940686
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC NameN-(4-chloro-1-methylindol-3-yl)-3-cyclohexylpropanamide
SMILESCn1cc(NC(=O)CCC2CCCCC2)c2c(Cl)cccc21
InChIInChI=1S/C18H23ClN2O/c1-21-12-15(18-14(19)8-5-9-16(18)21)20-17(22)11-10-13-6-3-2-4-7-13/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3,(H,20,22)
InChIKeyOABNVPUYZRLOCL-UHFFFAOYSA-N
XLogP5.13
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.85
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-3-cyclohexylpropanamide
CID 46940506
N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-2-cyclohexylacetamide
CID 46940421
3-cycloheptyl-N-[1-[2-(3-hydroxyoxetan-3-yl)ethyl]-4-methylindol-3-yl]propanamide
CID 71077892
3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide
CID 27126992
N-[4-chloro-1-(oxetan-3-ylmethyl)indol-3-yl]-2-cycloheptylacetamide
CID 71077819
N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110858773
N-(2-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246
N-(3-chlorophenyl)-3-cyclohexylpropanamide
CID 803651
3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide
CID 112789217
3-cyclopentyl-N-(2-hydroxy-4-methylphenyl)propanamide
CID 7979725
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
N-(2-acetamido-5-methylphenyl)-3-cyclohexylpropanamide
CID 131913766

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-methylindol-3-yl)-3-cyclohexylpropanamide?
The IUPAC name of N-(4-chloro-1-methylindol-3-yl)-3-cyclohexylpropanamide (CID 46940686) is N-(4-chloro-1-methylindol-3-yl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(4-chloro-1-methylindol-3-yl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(4-chloro-1-methylindol-3-yl)-3-cyclohexylpropanamide is Cn1cc(NC(=O)CCC2CCCCC2)c2c(Cl)cccc21.
What is the InChIKey of N-(4-chloro-1-methylindol-3-yl)-3-cyclohexylpropanamide?
The InChIKey is OABNVPUYZRLOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O/c1-21-12-15(18-14(19)8-5-9-16(18)21)20-17(22)11-10-13-6-3-2-4-7-13/h5,8-9,12-13H,2-4,6-7,10-11H2,1H3,(H,20,22).
What are the key properties of N-(4-chloro-1-methylindol-3-yl)-3-cyclohexylpropanamide?
N-(4-chloro-1-methylindol-3-yl)-3-cyclohexylpropanamide has a molecular weight of 318.85 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-methylindol-3-yl)-3-cyclohexylpropanamide is sourced from PubChem (CID 46940686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).