(2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate

C18H17Cl2NO5 — CID 8933305

IUPAC(2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCc2c(Cl)cccc2Cl)cc1OC
InChIInChI=1S/C18H17Cl2NO5/c1-24-15-7-6-11(8-16(15)25-2)18(23)21-9-17(22)26-10-12-13(19)4-3-5-14(12)20/h3-8H,9-10H2,1-2H3,(H,21,23)
InChIKeyVDHYLPOYPDEPSK-UHFFFAOYSA-N
MW398.24 g/mol
LogP3.48
Rot. Bonds7

About (2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate

(2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate (PubChem CID 8933305) has the molecular formula C18H17Cl2NO5 and a molecular weight of 398.24 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
PubChem CID8933305
Molecular FormulaC18H17Cl2NO5
Molecular Weight398.24 g/mol
Exact Mass397.05
IUPAC Name(2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCc2c(Cl)cccc2Cl)cc1OC
InChIInChI=1S/C18H17Cl2NO5/c1-24-15-7-6-11(8-16(15)25-2)18(23)21-9-17(22)26-10-12-13(19)4-3-5-14(12)20/h3-8H,9-10H2,1-2H3,(H,21,23)
InChIKeyVDHYLPOYPDEPSK-UHFFFAOYSA-N
XLogP3.48
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.24
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,6-dichlorophenyl)methyl 3,4-dimethoxybenzoate
CID 925956
(2,6-dichlorophenyl)methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 8662771
propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 46526157
(2-chloro-6-fluorophenyl)methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788560
N'-[2-(2,6-dichlorophenyl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934045
2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 3524412
1-benzothiophen-3-ylmethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 55885872
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630
2,6-dichloro-N'-(3,4-dimethoxybenzoyl)benzohydrazide
CID 78770574
(4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580674
2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide
CID 108537784
(2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate
CID 954138

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The IUPAC name of (2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate (CID 8933305) is (2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OCc2c(Cl)cccc2Cl)cc1OC.
What is the InChIKey of (2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The InChIKey is VDHYLPOYPDEPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO5/c1-24-15-7-6-11(8-16(15)25-2)18(23)21-9-17(22)26-10-12-13(19)4-3-5-14(12)20/h3-8H,9-10H2,1-2H3,(H,21,23).
What are the key properties of (2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate?
(2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate has a molecular weight of 398.24 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 8933305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).