2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide

C12H15ClN2O3 — CID 47029147

IUPAC2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
SMILESCOCC(=O)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-18-8-11(16)14-6-7-15-12(17)9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyNFFKUBAKHAZGMZ-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.83
Rot. Bonds6

About 2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide

2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide (PubChem CID 47029147) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
PubChem CID47029147
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
SMILESCOCC(=O)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-18-8-11(16)14-6-7-15-12(17)9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyNFFKUBAKHAZGMZ-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 108538105
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-sulfanylbenzamide
CID 108542258
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
2-chloro-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 46461477
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
2-chloro-N-[2-[[2-(cyclopropylmethoxy)acetyl]amino]ethyl]benzamide
CID 47036707
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide
CID 108540002
2-hydroxy-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide
CID 108540085
tert-butyl N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537111
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide
CID 78868092
2-chloro-N-[2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]ethyl]benzamide
CID 86981464

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide (CID 47029147) is 2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide is COCC(=O)NCCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide?
The InChIKey is NFFKUBAKHAZGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-18-8-11(16)14-6-7-15-12(17)9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide?
2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide has a molecular weight of 270.72 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide is sourced from PubChem (CID 47029147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).