N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide

C21H21ClN2O — CID 113085465

IUPACN-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC2(c3c[nH]c4cc(Cl)ccc34)CC2)c1
InChIInChI=1S/C21H21ClN2O/c1-14-3-2-4-15(9-14)10-20(25)24-13-21(7-8-21)18-12-23-19-11-16(22)5-6-17(18)19/h2-6,9,11-12,23H,7-8,10,13H2,1H3,(H,24,25)
InChIKeyKEUBDMVNWKVLPM-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.52
Rot. Bonds5

About N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide

N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide (PubChem CID 113085465) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide
PubChem CID113085465
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC NameN-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC2(c3c[nH]c4cc(Cl)ccc34)CC2)c1
InChIInChI=1S/C21H21ClN2O/c1-14-3-2-4-15(9-14)10-20(25)24-13-21(7-8-21)18-12-23-19-11-16(22)5-6-17(18)19/h2-6,9,11-12,23H,7-8,10,13H2,1H3,(H,24,25)
InChIKeyKEUBDMVNWKVLPM-UHFFFAOYSA-N
XLogP4.52
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2,2-dimethylpropanamide
CID 113085424
N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide
CID 113084958
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]-2-(4-methylphenoxy)acetamide
CID 113085166
N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-phenylethanesulfonamide
CID 113085496
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-ethylbutanamide
CID 113085133
2-(6-chloro-1H-indol-3-yl)-2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 113210464
N-[[1-(1H-indol-3-yl)cyclopropyl]methyl]butanamide
CID 113084659
N-[(6-chloro-1H-indol-3-yl)methyl]-3-methylaniline
CID 78968568
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,6-dimethoxybenzamide
CID 113085336
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenoxypropanamide
CID 113085158

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide (CID 113085465) is N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCC2(c3c[nH]c4cc(Cl)ccc34)CC2)c1.
What is the InChIKey of N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide?
The InChIKey is KEUBDMVNWKVLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O/c1-14-3-2-4-15(9-14)10-20(25)24-13-21(7-8-21)18-12-23-19-11-16(22)5-6-17(18)19/h2-6,9,11-12,23H,7-8,10,13H2,1H3,(H,24,25).
What are the key properties of N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide?
N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide has a molecular weight of 352.87 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 113085465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).