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

C20H27ClN2O3 — CID 46940506

IUPACN-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1cn(C(CO)CO)c2cccc(Cl)c12
InChIInChI=1S/C20H27ClN2O3/c21-16-7-4-8-18-20(16)17(11-23(18)15(12-24)13-25)22-19(26)10-9-14-5-2-1-3-6-14/h4,7-8,11,14-15,24-25H,1-3,5-6,9-10,12-13H2,(H,22,26)
InChIKeyCVXARHQUPAZUEY-UHFFFAOYSA-N
MW378.90 g/mol
LogP4.12
Rot. Bonds7

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

N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-3-cyclohexylpropanamide (PubChem CID 46940506) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-3-cyclohexylpropanamide
PubChem CID46940506
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC NameN-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-3-cyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)Nc1cn(C(CO)CO)c2cccc(Cl)c12
InChIInChI=1S/C20H27ClN2O3/c21-16-7-4-8-18-20(16)17(11-23(18)15(12-24)13-25)22-19(26)10-9-14-5-2-1-3-6-14/h4,7-8,11,14-15,24-25H,1-3,5-6,9-10,12-13H2,(H,22,26)
InChIKeyCVXARHQUPAZUEY-UHFFFAOYSA-N
XLogP4.12
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 54.12
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]-2-cyclohexylacetamide
CID 46940421
N-(4-chloro-1-methylindol-3-yl)-3-cyclohexylpropanamide
CID 46940686
N-[4-bromo-1-(1-hydroxy-3-nitrosopropan-2-yl)indol-3-yl]-2-cycloheptylacetamide
CID 89021847
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-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246
3-cyclopentyl-N-[2-(hydroxymethyl)phenyl]propanamide
CID 60653813
N-[2-[(2-cyanoacetyl)amino]phenyl]-3-cyclohexylpropanamide
CID 108922941
N-[3-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-3-cycloheptylpropyl]-2-hydroxybenzamide
CID 67132364
3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide
CID 112789217
N-(2-chlorophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110858773
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-3-cyclohexylpropanamide?
The IUPAC name of N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-3-cyclohexylpropanamide (CID 46940506) is N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-3-cyclohexylpropanamide.
What is the SMILES notation for N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-3-cyclohexylpropanamide?
The canonical SMILES for N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-3-cyclohexylpropanamide is O=C(CCC1CCCCC1)Nc1cn(C(CO)CO)c2cccc(Cl)c12.
What is the InChIKey of N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-3-cyclohexylpropanamide?
The InChIKey is CVXARHQUPAZUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O3/c21-16-7-4-8-18-20(16)17(11-23(18)15(12-24)13-25)22-19(26)10-9-14-5-2-1-3-6-14/h4,7-8,11,14-15,24-25H,1-3,5-6,9-10,12-13H2,(H,22,26).
What are the key properties of N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-3-cyclohexylpropanamide?
N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-3-cyclohexylpropanamide has a molecular weight of 378.90 g/mol, XLogP of 4.12, 7 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]-3-cyclohexylpropanamide is sourced from PubChem (CID 46940506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).