(2-carbamoyl-5-methoxyphenyl) 2-(2,5-dichlorophenoxy)acetate

C16H13Cl2NO5 — CID 18272979

IUPAC(2-carbamoyl-5-methoxyphenyl) 2-(2,5-dichlorophenoxy)acetate
SMILESCOc1ccc(C(N)=O)c(OC(=O)COc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H13Cl2NO5/c1-22-10-3-4-11(16(19)21)13(7-10)24-15(20)8-23-14-6-9(17)2-5-12(14)18/h2-7H,8H2,1H3,(H2,19,21)
InChIKeyZUGZGUMMXKPDAW-UHFFFAOYSA-N
MW370.19 g/mol
LogP3.09
Rot. Bonds6

About (2-carbamoyl-5-methoxyphenyl) 2-(2,5-dichlorophenoxy)acetate

(2-carbamoyl-5-methoxyphenyl) 2-(2,5-dichlorophenoxy)acetate (PubChem CID 18272979) has the molecular formula C16H13Cl2NO5 and a molecular weight of 370.19 g/mol. Its IUPAC name is (2-carbamoyl-5-methoxyphenyl) 2-(2,5-dichlorophenoxy)acetate.

Molecular Properties

Compound Name(2-carbamoyl-5-methoxyphenyl) 2-(2,5-dichlorophenoxy)acetate
PubChem CID18272979
Molecular FormulaC16H13Cl2NO5
Molecular Weight370.19 g/mol
Exact Mass369.02
IUPAC Name(2-carbamoyl-5-methoxyphenyl) 2-(2,5-dichlorophenoxy)acetate
SMILESCOc1ccc(C(N)=O)c(OC(=O)COc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C16H13Cl2NO5/c1-22-10-3-4-11(16(19)21)13(7-10)24-15(20)8-23-14-6-9(17)2-5-12(14)18/h2-7H,8H2,1H3,(H2,19,21)
InChIKeyZUGZGUMMXKPDAW-UHFFFAOYSA-N
XLogP3.09
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2-carbamoyl-5-methoxyphenyl) 2-(2,5-dichlorophenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2-carbamoyl-5-chlorophenoxy)acetate
CID 47083412
2-[2-(2,4-dichlorophenyl)ethoxy]-4-methoxybenzamide
CID 141052915
2-[3-(4-chlorophenoxy)propoxy]-4-methoxybenzamide
CID 18198727
(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate
CID 914130
(4-bromophenyl) 2-(2,5-dichlorophenoxy)acetate
CID 19179126
4-chloro-2-methoxybenzamide
CID 19741766
4-chloro-2-ethoxybenzamide
CID 126998915
(2-chloro-5-methoxyphenyl) propanoate
CID 91527041
methyl 2-[4-chloro-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 5312098
2-(2,5-dichlorophenoxy)-4-methoxybenzoic acid
CID 81309612
ethyl 4-(2-chloro-5-methoxyphenoxy)-3-oxobutanoate
CID 86748689
2-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-4-methoxybenzamide
CID 18085792

Frequently Asked Questions

What is the IUPAC name of (2-carbamoyl-5-methoxyphenyl) 2-(2,5-dichlorophenoxy)acetate?
The IUPAC name of (2-carbamoyl-5-methoxyphenyl) 2-(2,5-dichlorophenoxy)acetate (CID 18272979) is (2-carbamoyl-5-methoxyphenyl) 2-(2,5-dichlorophenoxy)acetate.
What is the SMILES notation for (2-carbamoyl-5-methoxyphenyl) 2-(2,5-dichlorophenoxy)acetate?
The canonical SMILES for (2-carbamoyl-5-methoxyphenyl) 2-(2,5-dichlorophenoxy)acetate is COc1ccc(C(N)=O)c(OC(=O)COc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of (2-carbamoyl-5-methoxyphenyl) 2-(2,5-dichlorophenoxy)acetate?
The InChIKey is ZUGZGUMMXKPDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO5/c1-22-10-3-4-11(16(19)21)13(7-10)24-15(20)8-23-14-6-9(17)2-5-12(14)18/h2-7H,8H2,1H3,(H2,19,21).
What are the key properties of (2-carbamoyl-5-methoxyphenyl) 2-(2,5-dichlorophenoxy)acetate?
(2-carbamoyl-5-methoxyphenyl) 2-(2,5-dichlorophenoxy)acetate has a molecular weight of 370.19 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoyl-5-methoxyphenyl) 2-(2,5-dichlorophenoxy)acetate is sourced from PubChem (CID 18272979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).