2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate

C21H18ClNO4 — CID 7881097

IUPAC2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1ccc2ccccc2c1)OCCOc1ccc(Cl)cc1
InChIInChI=1S/C21H18ClNO4/c22-18-7-9-19(10-8-18)26-11-12-27-20(24)14-23-21(25)17-6-5-15-3-1-2-4-16(15)13-17/h1-10,13H,11-12,14H2,(H,23,25)
InChIKeyOKPFMZGWSHWNGL-UHFFFAOYSA-N
MW383.83 g/mol
LogP3.85
Rot. Bonds7

About 2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate

2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate (PubChem CID 7881097) has the molecular formula C21H18ClNO4 and a molecular weight of 383.83 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate
PubChem CID7881097
Molecular FormulaC21H18ClNO4
Molecular Weight383.83 g/mol
Exact Mass383.09
IUPAC Name2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1ccc2ccccc2c1)OCCOc1ccc(Cl)cc1
InChIInChI=1S/C21H18ClNO4/c22-18-7-9-19(10-8-18)26-11-12-27-20(24)14-23-21(25)17-6-5-15-3-1-2-4-16(15)13-17/h1-10,13H,11-12,14H2,(H,23,25)
InChIKeyOKPFMZGWSHWNGL-UHFFFAOYSA-N
XLogP3.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.83
LogP ≤ 53.85
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

2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 3524412
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
2-(3-bromophenoxy)ethyl 2-[(4-chlorobenzoyl)amino]acetate
CID 2492843
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308
2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880664
2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843771
2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833306
2-chloroethyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7038818
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881701
N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide
CID 9022506
2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885053

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate?
The IUPAC name of 2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate (CID 7881097) is 2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate.
What is the SMILES notation for 2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate?
The canonical SMILES for 2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate is O=C(CNC(=O)c1ccc2ccccc2c1)OCCOc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate?
The InChIKey is OKPFMZGWSHWNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO4/c22-18-7-9-19(10-8-18)26-11-12-27-20(24)14-23-21(25)17-6-5-15-3-1-2-4-16(15)13-17/h1-10,13H,11-12,14H2,(H,23,25).
What are the key properties of 2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate?
2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate has a molecular weight of 383.83 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate is sourced from PubChem (CID 7881097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).