[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

C19H19ClFNO4 — CID 40747500

IUPAC[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCc1cccc(OCCNC(=O)COC(=O)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C19H19ClFNO4/c1-13-4-2-5-14(10-13)25-9-8-22-18(23)12-26-19(24)11-15-16(20)6-3-7-17(15)21/h2-7,10H,8-9,11-12H2,1H3,(H,22,23)
InChIKeyLVUJPGHDTCHKMG-UHFFFAOYSA-N
MW379.82 g/mol
LogP3.07
Rot. Bonds8

About [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate

[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 40747500) has the molecular formula C19H19ClFNO4 and a molecular weight of 379.82 g/mol. Its IUPAC name is [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID40747500
Molecular FormulaC19H19ClFNO4
Molecular Weight379.82 g/mol
Exact Mass379.10
IUPAC Name[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESCc1cccc(OCCNC(=O)COC(=O)Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C19H19ClFNO4/c1-13-4-2-5-14(10-13)25-9-8-22-18(23)12-26-19(24)11-15-16(20)6-3-7-17(15)21/h2-7,10H,8-9,11-12H2,1H3,(H,22,23)
InChIKeyLVUJPGHDTCHKMG-UHFFFAOYSA-N
XLogP3.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 53.07
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-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 40755682
2-(4-chloro-2-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 100547759
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 29349192
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 40698436
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 39797454
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 2490465
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 7718188
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910326
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 8578267
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 8642931

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate (CID 40747500) is [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is Cc1cccc(OCCNC(=O)COC(=O)Cc2c(F)cccc2Cl)c1.
What is the InChIKey of [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is LVUJPGHDTCHKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO4/c1-13-4-2-5-14(10-13)25-9-8-22-18(23)12-26-19(24)11-15-16(20)6-3-7-17(15)21/h2-7,10H,8-9,11-12H2,1H3,(H,22,23).
What are the key properties of [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate?
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 379.82 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 40747500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).