N-(2-amino-5-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide

C17H19ClN2O — CID 107465671

IUPACN-(2-amino-5-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(CC(=O)N(C)c2cc(Cl)ccc2N)cc1C
InChIInChI=1S/C17H19ClN2O/c1-11-4-5-13(8-12(11)2)9-17(21)20(3)16-10-14(18)6-7-15(16)19/h4-8,10H,9,19H2,1-3H3
InChIKeyXLZFVXLFRJHYMU-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.74
Rot. Bonds3

About N-(2-amino-5-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide

N-(2-amino-5-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide (PubChem CID 107465671) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
PubChem CID107465671
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-(2-amino-5-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(CC(=O)N(C)c2cc(Cl)ccc2N)cc1C
InChIInChI=1S/C17H19ClN2O/c1-11-4-5-13(8-12(11)2)9-17(21)20(3)16-10-14(18)6-7-15(16)19/h4-8,10H,9,19H2,1-3H3
InChIKeyXLZFVXLFRJHYMU-UHFFFAOYSA-N
XLogP3.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-chlorophenyl)-N,4-dimethylpentanamide
CID 107465588
N-(2-amino-5-chlorophenyl)-N-methylacetamide
CID 107465702
2-chloro-N-(5-chloro-2-methylphenyl)-N-methylacetamide
CID 82082325
N-(2-amino-5-chlorophenyl)-N,3,4,4-tetramethylpentanamide
CID 107465550
N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylsulfanylacetamide
CID 107465805
N-(2-amino-5-chlorophenyl)-N,2,2-trimethylpropanamide
CID 107465612
1-(2-amino-5-chlorophenyl)-3-tert-butyl-1-methylurea
CID 107465986
N-(2-amino-5-chlorophenyl)-N,3,5-trimethylbenzamide
CID 107465748
2-(2-amino-5-chloro-N-methylanilino)-N,N-dimethylacetamide
CID 115468609
N-(2-amino-5-chlorophenyl)-N-methylbenzamide
CID 107465675
N-(2-amino-5-chlorophenyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 107465678
N-(2-amino-5-chlorophenyl)-2-hydroxy-N,3-dimethylbenzamide
CID 107465659

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide (CID 107465671) is N-(2-amino-5-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide is Cc1ccc(CC(=O)N(C)c2cc(Cl)ccc2N)cc1C.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide?
The InChIKey is XLZFVXLFRJHYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11-4-5-13(8-12(11)2)9-17(21)20(3)16-10-14(18)6-7-15(16)19/h4-8,10H,9,19H2,1-3H3.
What are the key properties of N-(2-amino-5-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide?
N-(2-amino-5-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide has a molecular weight of 302.81 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 107465671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).