2-[4-[(2,4-dichlorophenyl)methylamino]phenyl]-N-methylacetamide

C16H16Cl2N2O — CID 43713979

IUPAC2-[4-[(2,4-dichlorophenyl)methylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-19-16(21)8-11-2-6-14(7-3-11)20-10-12-4-5-13(17)9-15(12)18/h2-7,9,20H,8,10H2,1H3,(H,19,21)
InChIKeyPSUMLEODTMCYEJ-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.89
Rot. Bonds5

About 2-[4-[(2,4-dichlorophenyl)methylamino]phenyl]-N-methylacetamide

2-[4-[(2,4-dichlorophenyl)methylamino]phenyl]-N-methylacetamide (PubChem CID 43713979) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 2-[4-[(2,4-dichlorophenyl)methylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(2,4-dichlorophenyl)methylamino]phenyl]-N-methylacetamide
PubChem CID43713979
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name2-[4-[(2,4-dichlorophenyl)methylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H16Cl2N2O/c1-19-16(21)8-11-2-6-14(7-3-11)20-10-12-4-5-13(17)9-15(12)18/h2-7,9,20H,8,10H2,1H3,(H,19,21)
InChIKeyPSUMLEODTMCYEJ-UHFFFAOYSA-N
XLogP3.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(5-chloro-2-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide
CID 43714112
2-[4-[(4-bromo-3-chlorophenyl)methylamino]phenyl]-N-methylacetamide
CID 102975677
2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931328
2-[4-[(2,5-dichlorophenyl)methylamino]phenyl]acetamide
CID 103844946
N-methyl-2-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 43713951
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
1-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]-3-methylurea
CID 66159553
2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 43713887
methyl 5-[(2,4-dichlorophenyl)methylamino]-2-fluorobenzoate
CID 43715392
N-(4-tert-butylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7914224
2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide
CID 168583841
4-[(2-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
CID 103605319

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dichlorophenyl)methylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[(2,4-dichlorophenyl)methylamino]phenyl]-N-methylacetamide (CID 43713979) is 2-[4-[(2,4-dichlorophenyl)methylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(2,4-dichlorophenyl)methylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(2,4-dichlorophenyl)methylamino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(NCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-[4-[(2,4-dichlorophenyl)methylamino]phenyl]-N-methylacetamide?
The InChIKey is PSUMLEODTMCYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-19-16(21)8-11-2-6-14(7-3-11)20-10-12-4-5-13(17)9-15(12)18/h2-7,9,20H,8,10H2,1H3,(H,19,21).
What are the key properties of 2-[4-[(2,4-dichlorophenyl)methylamino]phenyl]-N-methylacetamide?
2-[4-[(2,4-dichlorophenyl)methylamino]phenyl]-N-methylacetamide has a molecular weight of 323.22 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dichlorophenyl)methylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 43713979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).