2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-phenylpropyl)acetamide

C19H22ClFN2O — CID 18087937

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)CN(C)Cc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C19H22ClFN2O/c1-14(15-7-4-3-5-8-15)11-22-19(24)13-23(2)12-16-17(20)9-6-10-18(16)21/h3-10,14H,11-13H2,1-2H3,(H,22,24)
InChIKeyQNYYPCVTNXJHCO-UHFFFAOYSA-N
MW348.85 g/mol
LogP3.83
Rot. Bonds7

About 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-phenylpropyl)acetamide

2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-phenylpropyl)acetamide (PubChem CID 18087937) has the molecular formula C19H22ClFN2O and a molecular weight of 348.85 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-phenylpropyl)acetamide
PubChem CID18087937
Molecular FormulaC19H22ClFN2O
Molecular Weight348.85 g/mol
Exact Mass348.14
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-phenylpropyl)acetamide
SMILESCC(CNC(=O)CN(C)Cc1c(F)cccc1Cl)c1ccccc1
InChIInChI=1S/C19H22ClFN2O/c1-14(15-7-4-3-5-8-15)11-22-19(24)13-23(2)12-16-17(20)9-6-10-18(16)21/h3-10,14H,11-13H2,1-2H3,(H,22,24)
InChIKeyQNYYPCVTNXJHCO-UHFFFAOYSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-phenoxyethyl)acetamide
CID 18087939
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide
CID 9197045
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 2699425
2-[2-aminoethyl(methyl)amino]-N-(2-phenylpropyl)acetamide
CID 62686641
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 9197153
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9197340
N-(2-acetylphenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
CID 9197428
2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2R)-2-phenylpropyl]acetamide
CID 9197701
N-(3-acetamidophenyl)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
CID 32517503
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
CID 24566382
2-(2,6-dichlorophenyl)sulfanyl-N-[(2S)-2-phenylpropyl]acetamide
CID 7466914
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)acetamide
CID 18087925

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-phenylpropyl)acetamide (CID 18087937) is 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-phenylpropyl)acetamide is CC(CNC(=O)CN(C)Cc1c(F)cccc1Cl)c1ccccc1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-phenylpropyl)acetamide?
The InChIKey is QNYYPCVTNXJHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O/c1-14(15-7-4-3-5-8-15)11-22-19(24)13-23(2)12-16-17(20)9-6-10-18(16)21/h3-10,14H,11-13H2,1-2H3,(H,22,24).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-phenylpropyl)acetamide?
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-phenylpropyl)acetamide has a molecular weight of 348.85 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 18087937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).