N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-(2-methylphenyl)acetamide

C21H23F2NO — CID 112534951

IUPACN-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCC1(c2ccc(F)cc2F)CC1(C)C
InChIInChI=1S/C21H23F2NO/c1-14-6-4-5-7-15(14)10-19(25)24-13-21(12-20(21,2)3)17-9-8-16(22)11-18(17)23/h4-9,11H,10,12-13H2,1-3H3,(H,24,25)
InChIKeyFBNHWOYLYWKNLZ-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.30
Rot. Bonds5

About N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-(2-methylphenyl)acetamide

N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-(2-methylphenyl)acetamide (PubChem CID 112534951) has the molecular formula C21H23F2NO and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-(2-methylphenyl)acetamide
PubChem CID112534951
Molecular FormulaC21H23F2NO
Molecular Weight343.42 g/mol
Exact Mass343.17
IUPAC NameN-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCC1(c2ccc(F)cc2F)CC1(C)C
InChIInChI=1S/C21H23F2NO/c1-14-6-4-5-7-15(14)10-19(25)24-13-21(12-20(21,2)3)17-9-8-16(22)11-18(17)23/h4-9,11H,10,12-13H2,1-3H3,(H,24,25)
InChIKeyFBNHWOYLYWKNLZ-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]carbamate
CID 84581564
5-chloro-N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-methoxybenzamide
CID 84580312
2,5-difluoro-N-[(2-methylphenyl)methyl]benzamide
CID 30500868
2-(2,4-difluoroanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 108996706
1-[[[2-(2-methylphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81367155
N-[[1-(2,4-difluorophenyl)-2-methylcyclopropyl]methyl]-2-pyridin-2-ylacetamide
CID 112534892
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide
CID 103969602
N-[(1-aminocyclohexyl)methyl]-2-(2-methylphenyl)acetamide;hydrochloride
CID 119259809
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)acetamide
CID 51094283
1-[2-(2,4-difluorophenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 112976139
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(2-methylphenyl)acetamide
CID 51247447
2-(2,4-difluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]acetamide
CID 115271494

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-(2-methylphenyl)acetamide (CID 112534951) is N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCC1(c2ccc(F)cc2F)CC1(C)C.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-(2-methylphenyl)acetamide?
The InChIKey is FBNHWOYLYWKNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2NO/c1-14-6-4-5-7-15(14)10-19(25)24-13-21(12-20(21,2)3)17-9-8-16(22)11-18(17)23/h4-9,11H,10,12-13H2,1-3H3,(H,24,25).
What are the key properties of N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-(2-methylphenyl)acetamide?
N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-(2-methylphenyl)acetamide has a molecular weight of 343.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)-2,2-dimethylcyclopropyl]methyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 112534951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).