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

C18H18ClNO4 — CID 14097624

IUPACethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNO4/c1-2-23-18(22)14-5-9-16(10-6-14)24-12-11-20-17(21)13-3-7-15(19)8-4-13/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyMADSRDJTHFDOAT-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.33
Rot. Bonds7

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

ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate (PubChem CID 14097624) has the molecular formula C18H18ClNO4 and a molecular weight of 347.80 g/mol. Its IUPAC name is ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
PubChem CID14097624
Molecular FormulaC18H18ClNO4
Molecular Weight347.80 g/mol
Exact Mass347.09
IUPAC Nameethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNO4/c1-2-23-18(22)14-5-9-16(10-6-14)24-12-11-20-17(21)13-3-7-15(19)8-4-13/h3-10H,2,11-12H2,1H3,(H,20,21)
InChIKeyMADSRDJTHFDOAT-UHFFFAOYSA-N
XLogP3.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.33
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

methyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097617
ethyl 4-[11-(4-chlorophenoxy)undecoxy]benzoate
CID 21319306
4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022553
ethyl 4-[2-(4-chlorophenoxy)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 30502854
ethyl N-[2-[4-(4-chlorophenoxy)phenoxy]ethyl]carbamate
CID 19881385
ethyl 4-[2-[(2-propan-2-ylbenzoyl)amino]ethoxy]benzoate
CID 70378818
N-[2-(4-chlorophenoxy)ethyl]-3-methylbenzamide
CID 2302635
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
ethyl 3-[4-[2-[[4-(4-chlorophenyl)benzoyl]amino]ethoxy]phenyl]-2-phenoxypropanoate
CID 18626003
ethyl 2-[2-(4-chlorophenoxy)ethylcarbamoyloxy]acetate
CID 91288841
2-(4-chlorophenoxy)ethyl 4-methylbenzoate
CID 126608900

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate?
The IUPAC name of ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate (CID 14097624) is ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate.
What is the SMILES notation for ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate?
The canonical SMILES for ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate is CCOC(=O)c1ccc(OCCNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate?
The InChIKey is MADSRDJTHFDOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO4/c1-2-23-18(22)14-5-9-16(10-6-14)24-12-11-20-17(21)13-3-7-15(19)8-4-13/h3-10H,2,11-12H2,1H3,(H,20,21).
What are the key properties of ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate?
ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate has a molecular weight of 347.80 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate is sourced from PubChem (CID 14097624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).