N-(2-chlorophenyl)-2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]acetamide

C18H21ClN2O2 — CID 51109549

IUPACN-(2-chlorophenyl)-2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]acetamide
SMILESCc1cc(O)c(CN(C)CC(=O)Nc2ccccc2Cl)cc1C
InChIInChI=1S/C18H21ClN2O2/c1-12-8-14(17(22)9-13(12)2)10-21(3)11-18(23)20-16-7-5-4-6-15(16)19/h4-9,22H,10-11H2,1-3H3,(H,20,23)
InChIKeyLMHGQUPEEQTAAS-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.73
Rot. Bonds5

About N-(2-chlorophenyl)-2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]acetamide

N-(2-chlorophenyl)-2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]acetamide (PubChem CID 51109549) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]acetamide
PubChem CID51109549
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-(2-chlorophenyl)-2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]acetamide
SMILESCc1cc(O)c(CN(C)CC(=O)Nc2ccccc2Cl)cc1C
InChIInChI=1S/C18H21ClN2O2/c1-12-8-14(17(22)9-13(12)2)10-21(3)11-18(23)20-16-7-5-4-6-15(16)19/h4-9,22H,10-11H2,1-3H3,(H,20,23)
InChIKeyLMHGQUPEEQTAAS-UHFFFAOYSA-N
XLogP3.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057796
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 27222681
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 9037147
N-(2-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2698878
2-[(2-chlorophenyl)methyl-methylamino]-N-(4-iodo-2-methylphenyl)acetamide
CID 27222679
N-(2,3-dichlorophenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8550699
N-(4-bromo-3-methylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 27221148
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761356
2-[(2,6-dichlorophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287814
ethyl 2-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 2442863
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 9057976
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(2-chlorophenyl)acetamide
CID 2698454

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]acetamide (CID 51109549) is N-(2-chlorophenyl)-2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]acetamide is Cc1cc(O)c(CN(C)CC(=O)Nc2ccccc2Cl)cc1C.
What is the InChIKey of N-(2-chlorophenyl)-2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]acetamide?
The InChIKey is LMHGQUPEEQTAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-12-8-14(17(22)9-13(12)2)10-21(3)11-18(23)20-16-7-5-4-6-15(16)19/h4-9,22H,10-11H2,1-3H3,(H,20,23).
What are the key properties of N-(2-chlorophenyl)-2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]acetamide?
N-(2-chlorophenyl)-2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]acetamide has a molecular weight of 332.83 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(2-hydroxy-4,5-dimethylphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 51109549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).