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

C21H27ClN2O2 — CID 71077819

IUPACN-[4-chloro-1-(oxetan-3-ylmethyl)indol-3-yl]-2-cycloheptylacetamide
SMILESO=C(CC1CCCCCC1)Nc1cn(CC2COC2)c2cccc(Cl)c12
InChIInChI=1S/C21H27ClN2O2/c22-17-8-5-9-19-21(17)18(12-24(19)11-16-13-26-14-16)23-20(25)10-15-6-3-1-2-4-7-15/h5,8-9,12,15-16H,1-4,6-7,10-11,13-14H2,(H,23,25)
InChIKeyOABOBHHBRBXVKJ-UHFFFAOYSA-N
MW374.91 g/mol
LogP5.24
Rot. Bonds5

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

N-[4-chloro-1-(oxetan-3-ylmethyl)indol-3-yl]-2-cycloheptylacetamide (PubChem CID 71077819) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is N-[4-chloro-1-(oxetan-3-ylmethyl)indol-3-yl]-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-[4-chloro-1-(oxetan-3-ylmethyl)indol-3-yl]-2-cycloheptylacetamide
PubChem CID71077819
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC NameN-[4-chloro-1-(oxetan-3-ylmethyl)indol-3-yl]-2-cycloheptylacetamide
SMILESO=C(CC1CCCCCC1)Nc1cn(CC2COC2)c2cccc(Cl)c12
InChIInChI=1S/C21H27ClN2O2/c22-17-8-5-9-19-21(17)18(12-24(19)11-16-13-26-14-16)23-20(25)10-15-6-3-1-2-4-7-15/h5,8-9,12,15-16H,1-4,6-7,10-11,13-14H2,(H,23,25)
InChIKeyOABOBHHBRBXVKJ-UHFFFAOYSA-N
XLogP5.24
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.91
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-2-cyclohexylacetamide
CID 46940421
CID 89283785
CID 89283785
N-(4-chloro-1-methylindol-3-yl)-3-cyclohexylpropanamide
CID 46940686
4-bromo-N-(cycloheptylmethyl)-1-(oxetan-3-ylmethyl)indole-3-carboxamide
CID 71077064
N-[4-chloro-1-(1,3-dihydroxypropan-2-yl)indol-3-yl]-3-cyclohexylpropanamide
CID 46940506
CID 89283594
CID 89283594
N-(5-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 43548756
N-(3-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 114270030
4-chloro-1-(piperidin-3-ylmethyl)indole-3-carboxamide
CID 145106745
N-(4-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 28776891
3-cycloheptyl-N-[1-[2-(3-hydroxyoxetan-3-yl)ethyl]-4-methylindol-3-yl]propanamide
CID 71077892
2-cyclopentyl-N-(2,5-dichlorophenyl)acetamide
CID 7733768

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-(oxetan-3-ylmethyl)indol-3-yl]-2-cycloheptylacetamide?
The IUPAC name of N-[4-chloro-1-(oxetan-3-ylmethyl)indol-3-yl]-2-cycloheptylacetamide (CID 71077819) is N-[4-chloro-1-(oxetan-3-ylmethyl)indol-3-yl]-2-cycloheptylacetamide.
What is the SMILES notation for N-[4-chloro-1-(oxetan-3-ylmethyl)indol-3-yl]-2-cycloheptylacetamide?
The canonical SMILES for N-[4-chloro-1-(oxetan-3-ylmethyl)indol-3-yl]-2-cycloheptylacetamide is O=C(CC1CCCCCC1)Nc1cn(CC2COC2)c2cccc(Cl)c12.
What is the InChIKey of N-[4-chloro-1-(oxetan-3-ylmethyl)indol-3-yl]-2-cycloheptylacetamide?
The InChIKey is OABOBHHBRBXVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c22-17-8-5-9-19-21(17)18(12-24(19)11-16-13-26-14-16)23-20(25)10-15-6-3-1-2-4-7-15/h5,8-9,12,15-16H,1-4,6-7,10-11,13-14H2,(H,23,25).
What are the key properties of N-[4-chloro-1-(oxetan-3-ylmethyl)indol-3-yl]-2-cycloheptylacetamide?
N-[4-chloro-1-(oxetan-3-ylmethyl)indol-3-yl]-2-cycloheptylacetamide has a molecular weight of 374.91 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-(oxetan-3-ylmethyl)indol-3-yl]-2-cycloheptylacetamide is sourced from PubChem (CID 71077819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).