N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide

C21H21ClN2O2 — CID 113085166

IUPACN-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC2(c3c[nH]c4ccc(Cl)cc34)CC2)cc1
InChIInChI=1S/C21H21ClN2O2/c1-14-2-5-16(6-3-14)26-12-20(25)24-13-21(8-9-21)18-11-23-19-7-4-15(22)10-17(18)19/h2-7,10-11,23H,8-9,12-13H2,1H3,(H,24,25)
InChIKeyXSAFDSCDBBFLLW-UHFFFAOYSA-N
MW368.86 g/mol
LogP4.36
Rot. Bonds6

About N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide

N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide (PubChem CID 113085166) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide
PubChem CID113085166
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC NameN-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC2(c3c[nH]c4ccc(Cl)cc34)CC2)cc1
InChIInChI=1S/C21H21ClN2O2/c1-14-2-5-16(6-3-14)26-12-20(25)24-13-21(8-9-21)18-11-23-19-7-4-15(22)10-17(18)19/h2-7,10-11,23H,8-9,12-13H2,1H3,(H,24,25)
InChIKeyXSAFDSCDBBFLLW-UHFFFAOYSA-N
XLogP4.36
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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-methylpropanamide
CID 113085126
N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 113085260
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-ethylbutanamide
CID 113085133
N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide
CID 113085807
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]furan-2-carboxamide
CID 113085134
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110731485
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide
CID 113085017
N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2,2-dimethylpropanamide
CID 113085424
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 113085207

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide (CID 113085166) is N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCC2(c3c[nH]c4ccc(Cl)cc34)CC2)cc1.
What is the InChIKey of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is XSAFDSCDBBFLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-14-2-5-16(6-3-14)26-12-20(25)24-13-21(8-9-21)18-11-23-19-7-4-15(22)10-17(18)19/h2-7,10-11,23H,8-9,12-13H2,1H3,(H,24,25).
What are the key properties of N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide?
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 368.86 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 113085166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).