2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide

C16H16ClFN2O — CID 9251256

IUPAC2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)Cc1cccc(Cl)c1
InChIInChI=1S/C16H16ClFN2O/c1-20(10-12-3-2-4-13(17)9-12)11-16(21)19-15-7-5-14(18)6-8-15/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyLZQIZCYUPQLMBA-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.55
Rot. Bonds5

About 2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide

2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 9251256) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
PubChem CID9251256
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)Cc1cccc(Cl)c1
InChIInChI=1S/C16H16ClFN2O/c1-20(10-12-3-2-4-13(17)9-12)11-16(21)19-15-7-5-14(18)6-8-15/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyLZQIZCYUPQLMBA-UHFFFAOYSA-N
XLogP3.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 27249658
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)acetamide
CID 9251272
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 26510093
N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658802
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 9251924
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253204

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide (CID 9251256) is 2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)cc1)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is LZQIZCYUPQLMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-20(10-12-3-2-4-13(17)9-12)11-16(21)19-15-7-5-14(18)6-8-15/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of 2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide?
2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 306.77 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 9251256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).