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

C17H18ClFN2O — CID 4781380

IUPAC2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(F)cc1)Cc1cccc(Cl)c1
InChIInChI=1S/C17H18ClFN2O/c1-21(11-14-3-2-4-15(18)9-14)12-17(22)20-10-13-5-7-16(19)8-6-13/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyBQTOGHVOLYKRDS-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.23
Rot. Bonds6

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

2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 4781380) has the molecular formula C17H18ClFN2O and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID4781380
Molecular FormulaC17H18ClFN2O
Molecular Weight320.80 g/mol
Exact Mass320.11
IUPAC Name2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(F)cc1)Cc1cccc(Cl)c1
InChIInChI=1S/C17H18ClFN2O/c1-21(11-14-3-2-4-15(18)9-14)12-17(22)20-10-13-5-7-16(19)8-6-13/h2-9H,10-12H2,1H3,(H,20,22)
InChIKeyBQTOGHVOLYKRDS-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide (CID 4781380) is 2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide is CN(CC(=O)NCc1ccc(F)cc1)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is BQTOGHVOLYKRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O/c1-21(11-14-3-2-4-15(18)9-14)12-17(22)20-10-13-5-7-16(19)8-6-13/h2-9H,10-12H2,1H3,(H,20,22).
What are the key properties of 2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 320.80 g/mol, XLogP of 3.23, 6 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)methyl]acetamide is sourced from PubChem (CID 4781380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).