N-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide

C20H27ClN2O2 — CID 46940155

IUPACN-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide
SMILESCC(O)Cn1cc(NC(=O)CC2CCCCCC2)c2c(Cl)cccc21
InChIInChI=1S/C20H27ClN2O2/c1-14(24)12-23-13-17(20-16(21)9-6-10-18(20)23)22-19(25)11-15-7-4-2-3-5-8-15/h6,9-10,13-15,24H,2-5,7-8,11-12H2,1H3,(H,22,25)
InChIKeyZSZGKSFMXPUDOB-UHFFFAOYSA-N
MW362.90 g/mol
LogP4.97
Rot. Bonds5

About N-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide

N-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide (PubChem CID 46940155) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is N-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide
PubChem CID46940155
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC NameN-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide
SMILESCC(O)Cn1cc(NC(=O)CC2CCCCCC2)c2c(Cl)cccc21
InChIInChI=1S/C20H27ClN2O2/c1-14(24)12-23-13-17(20-16(21)9-6-10-18(20)23)22-19(25)11-15-7-4-2-3-5-8-15/h6,9-10,13-15,24H,2-5,7-8,11-12H2,1H3,(H,22,25)
InChIKeyZSZGKSFMXPUDOB-UHFFFAOYSA-N
XLogP4.97
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide?
The IUPAC name of N-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide (CID 46940155) is N-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide.
What is the SMILES notation for N-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide?
The canonical SMILES for N-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide is CC(O)Cn1cc(NC(=O)CC2CCCCCC2)c2c(Cl)cccc21.
What is the InChIKey of N-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide?
The InChIKey is ZSZGKSFMXPUDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O2/c1-14(24)12-23-13-17(20-16(21)9-6-10-18(20)23)22-19(25)11-15-7-4-2-3-5-8-15/h6,9-10,13-15,24H,2-5,7-8,11-12H2,1H3,(H,22,25).
What are the key properties of N-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide?
N-[4-chloro-1-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide has a molecular weight of 362.90 g/mol, XLogP of 4.97, 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-(2-hydroxypropyl)indol-3-yl]-2-cycloheptylacetamide is sourced from PubChem (CID 46940155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).