methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate

C17H16ClNO4 — CID 14097617

IUPACmethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO4/c1-22-17(21)13-4-8-15(9-5-13)23-11-10-19-16(20)12-2-6-14(18)7-3-12/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyLITWXFWXKVUAOY-UHFFFAOYSA-N
MW333.77 g/mol
LogP2.94
Rot. Bonds6

About methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate

methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate (PubChem CID 14097617) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
PubChem CID14097617
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Namemethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H16ClNO4/c1-22-17(21)13-4-8-15(9-5-13)23-11-10-19-16(20)12-2-6-14(18)7-3-12/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyLITWXFWXKVUAOY-UHFFFAOYSA-N
XLogP2.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097624
methyl 4-[2-(4-chloroanilino)ethoxy]benzoate
CID 15086593
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022553
methyl 4-(2-acetamidoethoxy)benzoate
CID 3104610
N-[2-(4-chlorophenoxy)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 34190671
N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 2295339
N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide
CID 27861644
methyl 4-[3-[(4-nitrobenzoyl)amino]propoxy]benzoate
CID 142721853
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635
N-[4-(4-chlorophenoxy)butyl]-4-(dimethylamino)benzamide
CID 24552497
N-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 46489928

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate?
The IUPAC name of methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate (CID 14097617) is methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate?
The canonical SMILES for methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate is COC(=O)c1ccc(OCCNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate?
The InChIKey is LITWXFWXKVUAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-22-17(21)13-4-8-15(9-5-13)23-11-10-19-16(20)12-2-6-14(18)7-3-12/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate?
methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate has a molecular weight of 333.77 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate is sourced from PubChem (CID 14097617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).