[[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-(2-methoxyphenyl)acetate

C17H16Cl2N2O3 — CID 2922489

IUPAC[[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-(2-methoxyphenyl)acetate
SMILESCOc1ccccc1CC(=O)ON=C(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O3/c1-23-15-5-3-2-4-12(15)9-17(22)24-21-16(20)8-11-6-7-13(18)10-14(11)19/h2-7,10H,8-9H2,1H3,(H2,20,21)
InChIKeyDAIJKQBWNWTGTJ-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.60
Rot. Bonds6

About [[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-(2-methoxyphenyl)acetate

[[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-(2-methoxyphenyl)acetate (PubChem CID 2922489) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is [[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-(2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-(2-methoxyphenyl)acetate
PubChem CID2922489
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name[[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-(2-methoxyphenyl)acetate
SMILESCOc1ccccc1CC(=O)ON=C(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2N2O3/c1-23-15-5-3-2-4-12(15)9-17(22)24-21-16(20)8-11-6-7-13(18)10-14(11)19/h2-7,10H,8-9H2,1H3,(H2,20,21)
InChIKeyDAIJKQBWNWTGTJ-UHFFFAOYSA-N
XLogP3.60
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)propan-2-one
CID 62620437
1-(2,5-dichlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 43344620
1-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208022
(2,4-dichlorophenyl)methyl N'-(2-methoxyphenyl)carbamimidothioate
CID 8776469
N-[(2,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 2641033
[1-(2,4-dichlorophenyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105200254
[[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] cyclohexanecarboxylate
CID 3130760
(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(2-methoxyphenoxy)propanamide
CID 9172784
(2,4-dichlorophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126186183
2-[(2,4-dichlorophenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111024815
2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 2162369
1-(2-bromo-5-chlorophenyl)-2-(2-methoxyphenyl)ethanone
CID 114026782

Frequently Asked Questions

What is the IUPAC name of [[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-(2-methoxyphenyl)acetate?
The IUPAC name of [[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-(2-methoxyphenyl)acetate (CID 2922489) is [[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-(2-methoxyphenyl)acetate.
What is the SMILES notation for [[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-(2-methoxyphenyl)acetate?
The canonical SMILES for [[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-(2-methoxyphenyl)acetate is COc1ccccc1CC(=O)ON=C(N)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of [[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-(2-methoxyphenyl)acetate?
The InChIKey is DAIJKQBWNWTGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-23-15-5-3-2-4-12(15)9-17(22)24-21-16(20)8-11-6-7-13(18)10-14(11)19/h2-7,10H,8-9H2,1H3,(H2,20,21).
What are the key properties of [[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-(2-methoxyphenyl)acetate?
[[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-(2-methoxyphenyl)acetate has a molecular weight of 367.23 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 2-(2-methoxyphenyl)acetate is sourced from PubChem (CID 2922489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).