N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide

C16H16Cl2N2O — CID 60647537

IUPACN-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide
SMILESO=C(CNCc1ccc(Cl)cc1Cl)NCc1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c17-14-7-6-13(15(18)8-14)10-19-11-16(21)20-9-12-4-2-1-3-5-12/h1-8,19H,9-11H2,(H,20,21)
InChIKeyQFOWCGYFRFTKQY-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.40
Rot. Bonds6

About N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide

N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide (PubChem CID 60647537) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide
PubChem CID60647537
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC NameN-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide
SMILESO=C(CNCc1ccc(Cl)cc1Cl)NCc1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c17-14-7-6-13(15(18)8-14)10-19-11-16(21)20-9-12-4-2-1-3-5-12/h1-8,19H,9-11H2,(H,20,21)
InChIKeyQFOWCGYFRFTKQY-UHFFFAOYSA-N
XLogP3.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide
CID 104853952
N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide
CID 60972560
2-[(2,4-dichlorophenyl)methylamino]-N-ethylacetamide
CID 43399947
N-benzyl-2-[(2-chloro-5-fluorophenyl)methylamino]acetamide
CID 102615525
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide
CID 115695815
N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide
CID 56920126
N-benzyl-2-(2,4,6-trichloroanilino)acetamide
CID 28992616
N-[(2,4-dichlorophenyl)methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 26018842
N-benzyl-2-[(4-bromo-3-chlorophenyl)methylamino]acetamide
CID 103581561
(4S)-5-(benzylamino)-4-[[2-(2,4-dichlorophenyl)acetyl]amino]-5-oxopentanoic acid
CID 177371450
2-(2,4-dichlorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63311270

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide?
The IUPAC name of N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide (CID 60647537) is N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide is O=C(CNCc1ccc(Cl)cc1Cl)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide?
The InChIKey is QFOWCGYFRFTKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c17-14-7-6-13(15(18)8-14)10-19-11-16(21)20-9-12-4-2-1-3-5-12/h1-8,19H,9-11H2,(H,20,21).
What are the key properties of N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide?
N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide has a molecular weight of 323.22 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide is sourced from PubChem (CID 60647537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).