N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-ethylbutanamide

C18H23ClN2O — CID 113085133

IUPACN-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC1(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C18H23ClN2O/c1-3-12(4-2)17(22)21-11-18(7-8-18)15-10-20-16-6-5-13(19)9-14(15)16/h5-6,9-10,12,20H,3-4,7-8,11H2,1-2H3,(H,21,22)
InChIKeyLKHCIHQOMFTBFA-UHFFFAOYSA-N
MW318.85 g/mol
LogP4.41
Rot. Bonds6

About N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-ethylbutanamide

N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-ethylbutanamide (PubChem CID 113085133) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-ethylbutanamide
PubChem CID113085133
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC NameN-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC1(c2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C18H23ClN2O/c1-3-12(4-2)17(22)21-11-18(7-8-18)15-10-20-16-6-5-13(19)9-14(15)16/h5-6,9-10,12,20H,3-4,7-8,11H2,1-2H3,(H,21,22)
InChIKeyLKHCIHQOMFTBFA-UHFFFAOYSA-N
XLogP4.41
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylpropanamide
CID 113085126
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]furan-2-carboxamide
CID 113085134
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide
CID 113085158
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide
CID 113085166
N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2,2-dimethylpropanamide
CID 113085424
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-ethylhexanamide
CID 17271856
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide
CID 113085017
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 113085207
N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide
CID 113085465
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-4-methoxybenzenesulfonamide
CID 113085193
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113085205
5-chloro-3-[1,4,4-tris(5-chloro-1H-indol-3-yl)cyclohexyl]-1H-indole
CID 139229716

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-ethylbutanamide?
The IUPAC name of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-ethylbutanamide (CID 113085133) is N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-ethylbutanamide?
The canonical SMILES for N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCC1(c2c[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-ethylbutanamide?
The InChIKey is LKHCIHQOMFTBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O/c1-3-12(4-2)17(22)21-11-18(7-8-18)15-10-20-16-6-5-13(19)9-14(15)16/h5-6,9-10,12,20H,3-4,7-8,11H2,1-2H3,(H,21,22).
What are the key properties of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-ethylbutanamide?
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-ethylbutanamide has a molecular weight of 318.85 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-ethylbutanamide is sourced from PubChem (CID 113085133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).