methyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate

C13H15Cl2NO4 — CID 61383603

IUPACmethyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO4/c1-4-16(7-11(17)19-2)13(18)8-5-9(14)12(20-3)10(15)6-8/h5-6H,4,7H2,1-3H3
InChIKeyHVDSDNKXMCJUOV-UHFFFAOYSA-N
MW320.17 g/mol
LogP2.64
Rot. Bonds5

About methyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate

methyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate (PubChem CID 61383603) has the molecular formula C13H15Cl2NO4 and a molecular weight of 320.17 g/mol. Its IUPAC name is methyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate
PubChem CID61383603
Molecular FormulaC13H15Cl2NO4
Molecular Weight320.17 g/mol
Exact Mass319.04
IUPAC Namemethyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1cc(Cl)c(OC)c(Cl)c1
InChIInChI=1S/C13H15Cl2NO4/c1-4-16(7-11(17)19-2)13(18)8-5-9(14)12(20-3)10(15)6-8/h5-6H,4,7H2,1-3H3
InChIKeyHVDSDNKXMCJUOV-UHFFFAOYSA-N
XLogP2.64
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-bromo-5-chlorobenzoyl)-ethylamino]acetate
CID 103826884
3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 115771926
methyl 2-[benzoyl(ethyl)amino]acetate
CID 57002755
methyl 2-[(2-chloro-4-fluorobenzoyl)-ethylamino]acetate
CID 54979189
3,4,5-trichloro-N,N-diethylbenzamide
CID 50849492
methyl 2-[ethyl-(4-methylsulfanylbenzoyl)amino]acetate
CID 54979363
ethyl 2-[(2,6-dichloropyridine-4-carbonyl)-ethylamino]acetate
CID 54978868
methyl 2-[ethyl-[3-(trifluoromethyl)benzoyl]amino]acetate
CID 61383269
methyl 2-[(3-methoxybenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952792
methyl 2-[ethyl-(6-methylpyridine-3-carbonyl)amino]acetate
CID 54979638
2-[(3,5-dichloro-4-methoxybenzoyl)amino]acetic acid
CID 43354480
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate?
The IUPAC name of methyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate (CID 61383603) is methyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate.
What is the SMILES notation for methyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate?
The canonical SMILES for methyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate is CCN(CC(=O)OC)C(=O)c1cc(Cl)c(OC)c(Cl)c1.
What is the InChIKey of methyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate?
The InChIKey is HVDSDNKXMCJUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO4/c1-4-16(7-11(17)19-2)13(18)8-5-9(14)12(20-3)10(15)6-8/h5-6H,4,7H2,1-3H3.
What are the key properties of methyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate?
methyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate has a molecular weight of 320.17 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,5-dichloro-4-methoxybenzoyl)-ethylamino]acetate is sourced from PubChem (CID 61383603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).