N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-2-cyclohexylacetamide

C19H25ClN2O3 — CID 46940421

IUPACN-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1cn(C(CO)CO)c2cccc(Cl)c12
InChIInChI=1S/C19H25ClN2O3/c20-15-7-4-8-17-19(15)16(10-22(17)14(11-23)12-24)21-18(25)9-13-5-2-1-3-6-13/h4,7-8,10,13-14,23-24H,1-3,5-6,9,11-12H2,(H,21,25)
InChIKeyHIIVSNPXBZCNEN-UHFFFAOYSA-N
MW364.87 g/mol
LogP3.73
Rot. Bonds6

About N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-2-cyclohexylacetamide

N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-2-cyclohexylacetamide (PubChem CID 46940421) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-2-cyclohexylacetamide
PubChem CID46940421
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC NameN-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1cn(C(CO)CO)c2cccc(Cl)c12
InChIInChI=1S/C19H25ClN2O3/c20-15-7-4-8-17-19(15)16(10-22(17)14(11-23)12-24)21-18(25)9-13-5-2-1-3-6-13/h4,7-8,10,13-14,23-24H,1-3,5-6,9,11-12H2,(H,21,25)
InChIKeyHIIVSNPXBZCNEN-UHFFFAOYSA-N
XLogP3.73
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-3-cyclohexylpropanamide
CID 46940506
N-[4-bromo-1-(1-hydroxy-3-nitrosopropan-2-yl)indol-3-yl]-2-cycloheptylacetamide
CID 89021847
N-[4-chloro-1-(oxetan-3-ylmethyl)indol-3-yl]-2-cycloheptylacetamide
CID 71077819
N-(4-chloro-1-methylindol-3-yl)-3-cyclohexylpropanamide
CID 46940686
2-cycloheptyl-N-[2-(1,3-dihydroxypropan-2-yl)-1-oxoisoquinolin-5-yl]acetamide
CID 24895027
N-[3-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-3-cycloheptylpropyl]-2-hydroxybenzamide
CID 67132364
N-(5-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 43548756
N-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 114270030
2-cyclohexyl-N-(2-phenylphenyl)acetamide
CID 1317156
N-(4-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 28776891
2-cyclohexyl-N-[2-[1-(methylamino)ethyl]phenyl]acetamide
CID 43507911
2-[(2-cycloheptylacetyl)amino]benzoic acid
CID 114457097

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-2-cyclohexylacetamide?
The IUPAC name of N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-2-cyclohexylacetamide (CID 46940421) is N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-2-cyclohexylacetamide?
The canonical SMILES for N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-2-cyclohexylacetamide is O=C(CC1CCCCC1)Nc1cn(C(CO)CO)c2cccc(Cl)c12.
What is the InChIKey of N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-2-cyclohexylacetamide?
The InChIKey is HIIVSNPXBZCNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c20-15-7-4-8-17-19(15)16(10-22(17)14(11-23)12-24)21-18(25)9-13-5-2-1-3-6-13/h4,7-8,10,13-14,23-24H,1-3,5-6,9,11-12H2,(H,21,25).
What are the key properties of N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-2-cyclohexylacetamide?
N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-2-cyclohexylacetamide has a molecular weight of 364.87 g/mol, XLogP of 3.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-2-cyclohexylacetamide is sourced from PubChem (CID 46940421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).