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

C16H15Cl2FN2O — CID 9057792

IUPACN-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccccc1Cl
InChIInChI=1S/C16H15Cl2FN2O/c1-21(9-11-4-2-3-5-13(11)17)10-16(22)20-12-6-7-15(19)14(18)8-12/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyDZBVKNCIXRTLEJ-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.20
Rot. Bonds5

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

N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide (PubChem CID 9057792) has the molecular formula C16H15Cl2FN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
PubChem CID9057792
Molecular FormulaC16H15Cl2FN2O
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccccc1Cl
InChIInChI=1S/C16H15Cl2FN2O/c1-21(9-11-4-2-3-5-13(11)17)10-16(22)20-12-6-7-15(19)14(18)8-12/h2-8H,9-10H2,1H3,(H,20,22)
InChIKeyDZBVKNCIXRTLEJ-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057922
2-[(2-chlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 9058026
N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964034
N-(3-chloro-4-fluorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22196482
N-(3-chloro-4-fluorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054347
2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 18282633
2-[(2-chlorophenyl)methyl-methylamino]-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 8542629
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 18131356
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 27222681
2-(N-acetyl-2,3-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180172
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
2-(N-acetyl-2,6-dichloroanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113180038

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide (CID 9057792) is N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide is CN(CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccccc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide?
The InChIKey is DZBVKNCIXRTLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN2O/c1-21(9-11-4-2-3-5-13(11)17)10-16(22)20-12-6-7-15(19)14(18)8-12/h2-8H,9-10H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide has a molecular weight of 341.21 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 9057792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).