2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide

C16H16Cl2N2O — CID 60683217

IUPAC2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)CNc1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c1-20(11-12-7-8-13(17)9-15(12)18)16(21)10-19-14-5-3-2-4-6-14/h2-9,19H,10-11H2,1H3
InChIKeyPLTTWAORLDLOSF-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.06
Rot. Bonds5

About 2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide

2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide (PubChem CID 60683217) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
PubChem CID60683217
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccc(Cl)cc1Cl)C(=O)CNc1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c1-20(11-12-7-8-13(17)9-15(12)18)16(21)10-19-14-5-3-2-4-6-14/h2-9,19H,10-11H2,1H3
InChIKeyPLTTWAORLDLOSF-UHFFFAOYSA-N
XLogP4.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 60683247
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 62847986
2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 60939480
3-cyano-N-[(2,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 94697067
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 60686804
N-[2-[(2,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-3-nitrobenzamide
CID 9417663
2-(5-chloro-2-methoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86910523
2-(3-chloroanilino)-N-methyl-N-phenylacetamide
CID 39373771
2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37229214
N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685447
2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide
CID 79805049

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide (CID 60683217) is 2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide is CN(Cc1ccc(Cl)cc1Cl)C(=O)CNc1ccccc1.
What is the InChIKey of 2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide?
The InChIKey is PLTTWAORLDLOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-20(11-12-7-8-13(17)9-15(12)18)16(21)10-19-14-5-3-2-4-6-14/h2-9,19H,10-11H2,1H3.
What are the key properties of 2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide?
2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide has a molecular weight of 323.22 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 60683217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).