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

C17H17ClN2O3 — CID 40718510

IUPACN-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O3/c1-23-15-9-5-3-7-13(15)17(22)20-11-10-19-16(21)12-6-2-4-8-14(12)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyFKJXUIMOPSGUPI-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.51
Rot. Bonds6

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

N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide (PubChem CID 40718510) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
PubChem CID40718510
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C17H17ClN2O3/c1-23-15-9-5-3-7-13(15)17(22)20-11-10-19-16(21)12-6-2-4-8-14(12)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyFKJXUIMOPSGUPI-UHFFFAOYSA-N
XLogP2.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538079
N-[2-[(2-chloroacetyl)amino]ethyl]-2-methoxybenzamide
CID 108570753
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
2-methoxy-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 108538105
N-(4-chlorobutyl)-2-methoxybenzamide
CID 106845525
N-[2-(2,2-dimethylpropanoylamino)ethyl]-2-methoxybenzamide
CID 108538118
3-[(2-methoxybenzoyl)amino]propanoic acid
CID 67981005
(2,6-dichlorophenyl)methyl 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827643
2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 47029147
N-[2-(cyclopropylamino)ethyl]-2-methoxybenzamide
CID 62665285
2-chloro-N-[2-[[2-(2,5-dimethoxyphenyl)acetyl]amino]ethyl]benzamide
CID 78868092

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide (CID 40718510) is N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCNC(=O)c1ccccc1Cl.
What is the InChIKey of N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide?
The InChIKey is FKJXUIMOPSGUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-23-15-9-5-3-7-13(15)17(22)20-11-10-19-16(21)12-6-2-4-8-14(12)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide?
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide has a molecular weight of 332.79 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 40718510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).