2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide

C18H20ClFN2O — CID 27243408

IUPAC2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)Cc1ccc(F)cc1Cl
InChIInChI=1S/C18H20ClFN2O/c1-12-5-4-6-13(2)18(12)21-17(23)11-22(3)10-14-7-8-15(20)9-16(14)19/h4-9H,10-11H2,1-3H3,(H,21,23)
InChIKeyQOHOTHYSJJBGHK-UHFFFAOYSA-N
MW334.82 g/mol
LogP4.17
Rot. Bonds5

About 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide

2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 27243408) has the molecular formula C18H20ClFN2O and a molecular weight of 334.82 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID27243408
Molecular FormulaC18H20ClFN2O
Molecular Weight334.82 g/mol
Exact Mass334.12
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)Cc1ccc(F)cc1Cl
InChIInChI=1S/C18H20ClFN2O/c1-12-5-4-6-13(2)18(12)21-17(23)11-22(3)10-14-7-8-15(20)9-16(14)19/h4-9H,10-11H2,1-3H3,(H,21,23)
InChIKeyQOHOTHYSJJBGHK-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.82
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-2-[(2,5-dimethylphenyl)methyl-methylamino]acetamide
CID 9221850
N-(2,6-dimethylphenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]acetamide
CID 9251811
2-[[2-[(2,3-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 9039473
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 22194497
2-(2,4-difluorophenyl)-N-(2,6-dimethylphenyl)acetamide
CID 110488922
2-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 110898244
2-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221968
N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide;oxalic acid
CID 15945235
2-[[2-[(2,4-dichlorophenyl)methyl-methylamino]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 9196861
2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 18282633
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,5-difluoro-N-methylbenzamide
CID 31931546
2-[(4-cyano-2-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 17423821

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide (CID 27243408) is 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN(C)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is QOHOTHYSJJBGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O/c1-12-5-4-6-13(2)18(12)21-17(23)11-22(3)10-14-7-8-15(20)9-16(14)19/h4-9H,10-11H2,1-3H3,(H,21,23).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide?
2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 334.82 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 27243408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).