N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cyclohexylpropanamide

C18H23ClN2O2 — CID 46940157

IUPACN-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1cn(CO)c2cccc(Cl)c12
InChIInChI=1S/C18H23ClN2O2/c19-14-7-4-8-16-18(14)15(11-21(16)12-22)20-17(23)10-9-13-5-2-1-3-6-13/h4,7-8,11,13,22H,1-3,5-6,9-10,12H2,(H,20,23)
InChIKeyCPACRRVJKRXGDW-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.54
Rot. Bonds5

About N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cyclohexylpropanamide

N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cyclohexylpropanamide (PubChem CID 46940157) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cyclohexylpropanamide
PubChem CID46940157
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1cn(CO)c2cccc(Cl)c12
InChIInChI=1S/C18H23ClN2O2/c19-14-7-4-8-16-18(14)15(11-21(16)12-22)20-17(23)10-9-13-5-2-1-3-6-13/h4,7-8,11,13,22H,1-3,5-6,9-10,12H2,(H,20,23)
InChIKeyCPACRRVJKRXGDW-UHFFFAOYSA-N
XLogP4.54
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetyl-1H-indol-3-yl)-N-(4-chlorophenyl)acetamide
CID 2289673
N-(4-chlorobenzyl)-3-(1-methyl-1H-indol-3-yl)propanamide
CID 16019089
N-(3-chlorobenzyl)-3-(1-methyl-1H-indol-3-yl)propanamide
CID 20899770
3-(1-benzyl-5-chloroindol-3-yl)-N-pyridin-4-ylpropanamide
CID 10668091
3-(3-Chloro-phenylamino)-4-[1-(3-dimethylamino-propyl)-1H-indol-3-yl]-pyrrole-2,5-dione
CID 44394557
(1R,3S,5R)-2-N-(1-carbamoylindol-3-yl)-3-N-(3-chlorophenyl)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide
CID 130301808
N-(4-chlorophenyl)-N-(1H-indol-3-yl)acetamide
CID 808156
N-(2-indol-1-ylethyl)cyclohexanecarboxamide
CID 4451559
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 9116690
N-(3-chlorophenyl)-3-phenyl-2-pyrrol-1-ylpropanamide
CID 16010642
3-{1-[(2-Chlorophenyl)methyl]-1H-indol-3-YL}-N-cyclohexylpropanamide
CID 16019129
N-(3-chlorophenyl)-2-(1-methoxyindol-3-yl)acetamide
CID 141490369

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cyclohexylpropanamide?
The IUPAC name of N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cyclohexylpropanamide (CID 46940157) is N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cyclohexylpropanamide is O=C(CCC1CCCCC1)Nc1cn(CO)c2cccc(Cl)c12.
What is the InChIKey of N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cyclohexylpropanamide?
The InChIKey is CPACRRVJKRXGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2/c19-14-7-4-8-16-18(14)15(11-21(16)12-22)20-17(23)10-9-13-5-2-1-3-6-13/h4,7-8,11,13,22H,1-3,5-6,9-10,12H2,(H,20,23).
What are the key properties of N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cyclohexylpropanamide?
N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cyclohexylpropanamide has a molecular weight of 334.85 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-(hydroxymethyl)indol-3-yl]-3-cyclohexylpropanamide is sourced from PubChem (CID 46940157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).