2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide

C19H22ClFN2O2 — CID 71874577

IUPAC2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1ccccc1CNC(=O)C(c1c(F)cccc1Cl)N(C)C
InChIInChI=1S/C19H22ClFN2O2/c1-23(2)18(17-15(20)9-6-10-16(17)21)19(24)22-11-13-7-4-5-8-14(13)12-25-3/h4-10,18H,11-12H2,1-3H3,(H,22,24)
InChIKeyNLUOYGXCUBYNEF-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.54
Rot. Bonds7

About 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide

2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide (PubChem CID 71874577) has the molecular formula C19H22ClFN2O2 and a molecular weight of 364.85 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
PubChem CID71874577
Molecular FormulaC19H22ClFN2O2
Molecular Weight364.85 g/mol
Exact Mass364.14
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
SMILESCOCc1ccccc1CNC(=O)C(c1c(F)cccc1Cl)N(C)C
InChIInChI=1S/C19H22ClFN2O2/c1-23(2)18(17-15(20)9-6-10-16(17)21)19(24)22-11-13-7-4-5-8-14(13)12-25-3/h4-10,18H,11-12H2,1-3H3,(H,22,24)
InChIKeyNLUOYGXCUBYNEF-UHFFFAOYSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[acetyl(methyl)amino]-2-(2-chloro-6-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 99783779
2,3-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 62649576
4-[[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 71874582
N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide
CID 55096555
2-fluoro-N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 134023150
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 97200430
(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(3-methyl-2-pyridinyl)acetamide
CID 96508184
methyl 3-(2-chlorophenyl)-3-[[2-(methoxymethyl)phenyl]methylcarbamoylamino]propanoate
CID 134006769
1-[1-(4-fluorophenyl)ethyl]-3-[[2-(methoxymethyl)phenyl]methyl]-1-methylurea
CID 134006438
methyl 2-(2-chloro-6-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]acetate
CID 86788219
1-[(2-chlorophenyl)methyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine
CID 111175183
1-[(2-fluorophenyl)methyl]-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111265236

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide (CID 71874577) is 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide is COCc1ccccc1CNC(=O)C(c1c(F)cccc1Cl)N(C)C.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
The InChIKey is NLUOYGXCUBYNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O2/c1-23(2)18(17-15(20)9-6-10-16(17)21)19(24)22-11-13-7-4-5-8-14(13)12-25-3/h4-10,18H,11-12H2,1-3H3,(H,22,24).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide?
2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide has a molecular weight of 364.85 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 71874577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).