2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide

C11H13ClN2O2 — CID 166410090

IUPAC2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1cccc(NC(=O)CCl)c1
InChIInChI=1S/C11H13ClN2O2/c1-13-10(15)6-8-3-2-4-9(5-8)14-11(16)7-12/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)
InChIKeyLNQCZLNOPYJKAU-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.15
Rot. Bonds4

About 2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide

2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide (PubChem CID 166410090) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide
PubChem CID166410090
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1cccc(NC(=O)CCl)c1
InChIInChI=1S/C11H13ClN2O2/c1-13-10(15)6-8-3-2-4-9(5-8)14-11(16)7-12/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)
InChIKeyLNQCZLNOPYJKAU-UHFFFAOYSA-N
XLogP1.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588
2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979
2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide
CID 54207621
2-chloro-N-[3-(cyanomethyl)phenyl]acetamide
CID 130624468
1-[3-(chloromethyl)phenyl]-3-methylurea
CID 141126220
N-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide
CID 113270904
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
2-chloro-N-(3-iodophenyl)acetamide
CID 2342100
2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
CID 70623172
N-[3-(chloromethyl)phenyl]-2-(3,4-dichlorophenyl)acetamide
CID 114293210
N-[3-(methylaminomethyl)phenyl]-2-(3-methylphenyl)acetamide
CID 62388896
2-(3-iodophenyl)-N-methylacetamide
CID 130614224

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide (CID 166410090) is 2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide is CNC(=O)Cc1cccc(NC(=O)CCl)c1.
What is the InChIKey of 2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide?
The InChIKey is LNQCZLNOPYJKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-13-10(15)6-8-3-2-4-9(5-8)14-11(16)7-12/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide?
2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide has a molecular weight of 240.69 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide is sourced from PubChem (CID 166410090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).