N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)ethylamino]acetamide

C19H22ClFN2O — CID 112769477

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)ethylamino]acetamide
SMILESCc1ccccc1C(C)NCC(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C19H22ClFN2O/c1-13-7-4-5-8-15(13)14(2)22-11-19(24)23(3)12-16-17(20)9-6-10-18(16)21/h4-10,14,22H,11-12H2,1-3H3
InChIKeyBGJCTHVEGOSIII-UHFFFAOYSA-N
MW348.85 g/mol
LogP4.10
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)ethylamino]acetamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)ethylamino]acetamide (PubChem CID 112769477) has the molecular formula C19H22ClFN2O and a molecular weight of 348.85 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)ethylamino]acetamide
PubChem CID112769477
Molecular FormulaC19H22ClFN2O
Molecular Weight348.85 g/mol
Exact Mass348.14
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)ethylamino]acetamide
SMILESCc1ccccc1C(C)NCC(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C19H22ClFN2O/c1-13-7-4-5-8-15(13)14(2)22-11-19(24)23(3)12-16-17(20)9-6-10-18(16)21/h4-10,14,22H,11-12H2,1-3H3
InChIKeyBGJCTHVEGOSIII-UHFFFAOYSA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 31182281
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 112776875
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-ethyl-N-methylacetamide
CID 81379327
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
3-(tert-butylamino)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 60936879
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119267721
2-(2-aminophenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 61115408
3-chloro-2-[[1-(2-methylphenyl)ethylamino]methyl]phenol
CID 78959248
N-[(2-chloro-6-fluorophenyl)methyl]-2-(3-fluoro-4-methylanilino)-N-methylpropanamide
CID 112811066
N-[(2-chloro-6-fluorophenyl)methyl]-5-hydroxy-N-methylpentanamide
CID 79199252
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 61165388

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)ethylamino]acetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)ethylamino]acetamide (CID 112769477) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)ethylamino]acetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)ethylamino]acetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)ethylamino]acetamide is Cc1ccccc1C(C)NCC(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)ethylamino]acetamide?
The InChIKey is BGJCTHVEGOSIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O/c1-13-7-4-5-8-15(13)14(2)22-11-19(24)23(3)12-16-17(20)9-6-10-18(16)21/h4-10,14,22H,11-12H2,1-3H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)ethylamino]acetamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)ethylamino]acetamide has a molecular weight of 348.85 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[1-(2-methylphenyl)ethylamino]acetamide is sourced from PubChem (CID 112769477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).