2-(3-fluorophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide

C21H21FN2O — CID 113085814

IUPAC2-(3-fluorophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
SMILESCc1[nH]c2ccccc2c1C1(CNC(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C21H21FN2O/c1-14-20(17-7-2-3-8-18(17)24-14)21(9-10-21)13-23-19(25)12-15-5-4-6-16(22)11-15/h2-8,11,24H,9-10,12-13H2,1H3,(H,23,25)
InChIKeyZHAQUSKLDGGKCR-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.01
Rot. Bonds5

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

2-(3-fluorophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide (PubChem CID 113085814) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
PubChem CID113085814
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name2-(3-fluorophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
SMILESCc1[nH]c2ccccc2c1C1(CNC(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C21H21FN2O/c1-14-20(17-7-2-3-8-18(17)24-14)21(9-10-21)13-23-19(25)12-15-5-4-6-16(22)11-15/h2-8,11,24H,9-10,12-13H2,1H3,(H,23,25)
InChIKeyZHAQUSKLDGGKCR-UHFFFAOYSA-N
XLogP4.01
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
CID 113085824
2-(4-methoxyphenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
CID 113085795
2-(3-fluorophenyl)-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]acetamide
CID 113085706
4-chloro-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085802
N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide
CID 113085807
N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31956483
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567
2-(3-fluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]acetohydrazide
CID 31772931
2-(3-fluorophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
CID 115267551
N-[(3-fluorophenyl)methyl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 54693788
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-(3-methylphenyl)acetamide
CID 27450137
4-[[[2-(3-fluorophenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 115438203

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide (CID 113085814) is 2-(3-fluorophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide is Cc1[nH]c2ccccc2c1C1(CNC(=O)Cc2cccc(F)c2)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide?
The InChIKey is ZHAQUSKLDGGKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c1-14-20(17-7-2-3-8-18(17)24-14)21(9-10-21)13-23-19(25)12-15-5-4-6-16(22)11-15/h2-8,11,24H,9-10,12-13H2,1H3,(H,23,25).
What are the key properties of 2-(3-fluorophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide?
2-(3-fluorophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide has a molecular weight of 336.41 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 113085814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).