N-[(2-chlorophenyl)methyl]-2,2-diethoxy-N-methylacetamide

C14H20ClNO3 — CID 134891791

IUPACN-[(2-chlorophenyl)methyl]-2,2-diethoxy-N-methylacetamide
SMILESCCOC(OCC)C(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-4-18-14(19-5-2)13(17)16(3)10-11-8-6-7-9-12(11)15/h6-9,14H,4-5,10H2,1-3H3
InChIKeyFRYLHXCLMGALGY-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.70
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2,2-diethoxy-N-methylacetamide

N-[(2-chlorophenyl)methyl]-2,2-diethoxy-N-methylacetamide (PubChem CID 134891791) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2,2-diethoxy-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2,2-diethoxy-N-methylacetamide
PubChem CID134891791
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2,2-diethoxy-N-methylacetamide
SMILESCCOC(OCC)C(=O)N(C)Cc1ccccc1Cl
InChIInChI=1S/C14H20ClNO3/c1-4-18-14(19-5-2)13(17)16(3)10-11-8-6-7-9-12(11)15/h6-9,14H,4-5,10H2,1-3H3
InChIKeyFRYLHXCLMGALGY-UHFFFAOYSA-N
XLogP2.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] 2-methylpropanoate
CID 2112567
N-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 51072609
F2189-0437
CID 244923
JOH-UNI-0e1753c1-1
CID 156906478
N-(2-chlorobenzyl)-2-methoxyacetamide
CID 885765
N-[(4-chlorophenyl)methyl]-1-(1,3-dioxolan-2-yl)-N-methylmethanamine
CID 122135630
N-(2-Chlorobenzyl)-2-ethoxyacetamide
CID 2204805
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] acetate
CID 2495125
1-[2-(2-Chlorophenyl)-1-pyrrolidinyl]-2-methoxy-1-ethanone
CID 53017065
N-[(2,3-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide
CID 12624916
N-[(3,4-dichlorophenyl)methyl]-N-(2,2-dimethoxyethyl)acetamide
CID 12624917
N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxyacetamide
CID 57068637

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2,2-diethoxy-N-methylacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2,2-diethoxy-N-methylacetamide (CID 134891791) is N-[(2-chlorophenyl)methyl]-2,2-diethoxy-N-methylacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2,2-diethoxy-N-methylacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2,2-diethoxy-N-methylacetamide is CCOC(OCC)C(=O)N(C)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2,2-diethoxy-N-methylacetamide?
The InChIKey is FRYLHXCLMGALGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-4-18-14(19-5-2)13(17)16(3)10-11-8-6-7-9-12(11)15/h6-9,14H,4-5,10H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2,2-diethoxy-N-methylacetamide?
N-[(2-chlorophenyl)methyl]-2,2-diethoxy-N-methylacetamide has a molecular weight of 285.77 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2,2-diethoxy-N-methylacetamide is sourced from PubChem (CID 134891791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).