(3-chlorophenyl) 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate

C16H13Cl2NO5 — CID 24590765

IUPAC(3-chlorophenyl) 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate
SMILESCOc1cc(C(=O)Oc2cccc(Cl)c2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C16H13Cl2NO5/c1-22-13-6-9(5-12(18)15(13)23-8-14(19)20)16(21)24-11-4-2-3-10(17)7-11/h2-7H,8H2,1H3,(H2,19,20)
InChIKeyZYTPVUOPVKSPNL-UHFFFAOYSA-N
MW370.19 g/mol
LogP3.09
Rot. Bonds6

About (3-chlorophenyl) 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate

(3-chlorophenyl) 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate (PubChem CID 24590765) has the molecular formula C16H13Cl2NO5 and a molecular weight of 370.19 g/mol. Its IUPAC name is (3-chlorophenyl) 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate.

Molecular Properties

Compound Name(3-chlorophenyl) 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate
PubChem CID24590765
Molecular FormulaC16H13Cl2NO5
Molecular Weight370.19 g/mol
Exact Mass369.02
IUPAC Name(3-chlorophenyl) 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate
SMILESCOc1cc(C(=O)Oc2cccc(Cl)c2)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C16H13Cl2NO5/c1-22-13-6-9(5-12(18)15(13)23-8-14(19)20)16(21)24-11-4-2-3-10(17)7-11/h2-7H,8H2,1H3,(H2,19,20)
InChIKeyZYTPVUOPVKSPNL-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'}

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Related Compounds

(3-chlorophenyl)methyl 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate
CID 55496698
4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide
CID 55582198
prop-2-ynyl 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate
CID 47139600
(5-fluoro-2-nitrophenyl) 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate
CID 55487110
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate
CID 24651976
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 17442232
(2-methoxyphenyl) 3-chloro-4,5-dimethoxybenzoate
CID 26100957
1,3-benzodioxol-5-yl 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate
CID 9243955
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-5-methoxybenzamide
CID 55724832
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-phenyl-N-propan-2-ylbenzamide
CID 55920599
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate
CID 42143260
4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methoxybenzamide
CID 24612595

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl) 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate?
The IUPAC name of (3-chlorophenyl) 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate (CID 24590765) is (3-chlorophenyl) 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate.
What is the SMILES notation for (3-chlorophenyl) 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate?
The canonical SMILES for (3-chlorophenyl) 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate is COc1cc(C(=O)Oc2cccc(Cl)c2)cc(Cl)c1OCC(N)=O.
What is the InChIKey of (3-chlorophenyl) 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate?
The InChIKey is ZYTPVUOPVKSPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO5/c1-22-13-6-9(5-12(18)15(13)23-8-14(19)20)16(21)24-11-4-2-3-10(17)7-11/h2-7H,8H2,1H3,(H2,19,20).
What are the key properties of (3-chlorophenyl) 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate?
(3-chlorophenyl) 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate 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 (3-chlorophenyl) 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate is sourced from PubChem (CID 24590765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).