[[2-(4-chlorophenyl)acetyl]-methylamino] acetate

C11H12ClNO3 — CID 10847711

IUPAC[[2-(4-chlorophenyl)acetyl]-methylamino] acetate
SMILESCC(=O)ON(C)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c1-8(14)16-13(2)11(15)7-9-3-5-10(12)6-4-9/h3-6H,7H2,1-2H3
InChIKeyBLJXZQSEIOPQFK-UHFFFAOYSA-N
MW241.67 g/mol
LogP1.82
Rot. Bonds2

About [[2-(4-chlorophenyl)acetyl]-methylamino] acetate

[[2-(4-chlorophenyl)acetyl]-methylamino] acetate (PubChem CID 10847711) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is [[2-(4-chlorophenyl)acetyl]-methylamino] acetate.

Molecular Properties

Compound Name[[2-(4-chlorophenyl)acetyl]-methylamino] acetate
PubChem CID10847711
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name[[2-(4-chlorophenyl)acetyl]-methylamino] acetate
SMILESCC(=O)ON(C)C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO3/c1-8(14)16-13(2)11(15)7-9-3-5-10(12)6-4-9/h3-6H,7H2,1-2H3
InChIKeyBLJXZQSEIOPQFK-UHFFFAOYSA-N
XLogP1.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 80666327
methyl 2-[[2-(4-chlorophenyl)acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952798
2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115765069
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
2-(4-ethylphenyl)-N-methoxy-N-methylacetamide
CID 89040835
N,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide
CID 79016632
1-[4-(4-chlorophenoxy)phenyl]propan-2-one
CID 18000323
2-(4-chlorophenyl)-N-ethoxyacetamide
CID 25353081
2-(4-chlorophenyl)acetate
CID 5460378
2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 110868986
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 79121866
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605

Frequently Asked Questions

What is the IUPAC name of [[2-(4-chlorophenyl)acetyl]-methylamino] acetate?
The IUPAC name of [[2-(4-chlorophenyl)acetyl]-methylamino] acetate (CID 10847711) is [[2-(4-chlorophenyl)acetyl]-methylamino] acetate.
What is the SMILES notation for [[2-(4-chlorophenyl)acetyl]-methylamino] acetate?
The canonical SMILES for [[2-(4-chlorophenyl)acetyl]-methylamino] acetate is CC(=O)ON(C)C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of [[2-(4-chlorophenyl)acetyl]-methylamino] acetate?
The InChIKey is BLJXZQSEIOPQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3/c1-8(14)16-13(2)11(15)7-9-3-5-10(12)6-4-9/h3-6H,7H2,1-2H3.
What are the key properties of [[2-(4-chlorophenyl)acetyl]-methylamino] acetate?
[[2-(4-chlorophenyl)acetyl]-methylamino] acetate has a molecular weight of 241.67 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(4-chlorophenyl)acetyl]-methylamino] acetate is sourced from PubChem (CID 10847711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).