N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide

C12H15ClN2O3 — CID 108570753

IUPACN-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCNC(=O)CCl
InChIInChI=1S/C12H15ClN2O3/c1-18-10-5-3-2-4-9(10)12(17)15-7-6-14-11(16)8-13/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyBZNYPDQUIRPITQ-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.78
Rot. Bonds6

About N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide

N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide (PubChem CID 108570753) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide
PubChem CID108570753
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC NameN-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCNC(=O)CCl
InChIInChI=1S/C12H15ClN2O3/c1-18-10-5-3-2-4-9(10)12(17)15-7-6-14-11(16)8-13/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyBZNYPDQUIRPITQ-UHFFFAOYSA-N
XLogP0.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 108538105
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
N-(4-chlorobutyl)-2-methoxybenzamide
CID 106845525
N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108538118
2,5-dichloro-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538079
2-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 47101310
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
2-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 47100986
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
2-methoxy-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108538068

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide (CID 108570753) is N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCNC(=O)CCl.
What is the InChIKey of N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide?
The InChIKey is BZNYPDQUIRPITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-18-10-5-3-2-4-9(10)12(17)15-7-6-14-11(16)8-13/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide?
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide has a molecular weight of 270.72 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 108570753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).