(3,4-dichlorophenyl)methyl 2-(4-aminophenyl)acetate

C15H13Cl2NO2 — CID 61321314

IUPAC(3,4-dichlorophenyl)methyl 2-(4-aminophenyl)acetate
SMILESNc1ccc(CC(=O)OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H13Cl2NO2/c16-13-6-3-11(7-14(13)17)9-20-15(19)8-10-1-4-12(18)5-2-10/h1-7H,8-9,18H2
InChIKeyLUPFFCBPDYAJRU-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.86
Rot. Bonds4

About (3,4-dichlorophenyl)methyl 2-(4-aminophenyl)acetate

(3,4-dichlorophenyl)methyl 2-(4-aminophenyl)acetate (PubChem CID 61321314) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl 2-(4-aminophenyl)acetate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl 2-(4-aminophenyl)acetate
PubChem CID61321314
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name(3,4-dichlorophenyl)methyl 2-(4-aminophenyl)acetate
SMILESNc1ccc(CC(=O)OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H13Cl2NO2/c16-13-6-3-11(7-14(13)17)9-20-15(19)8-10-1-4-12(18)5-2-10/h1-7H,8-9,18H2
InChIKeyLUPFFCBPDYAJRU-UHFFFAOYSA-N
XLogP3.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (3,4-dichlorophenyl)methyl 2-(4-aminophenyl)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

(4-chlorophenyl)methyl 2-(4-aminophenyl)acetate
CID 61323404
1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 116549406
pyridin-4-ylmethyl 2-(4-aminophenyl)acetate
CID 61321694
(3,4-dichlorophenyl)methyl 3-oxobutanoate
CID 3303006
(3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate
CID 63450120
(3,4-dichlorophenyl)methyl docosanoate
CID 90980389
[2-(4-aminophenyl)acetyl]oxymercury
CID 140524085
2-(4-aminophenyl)ethaneperoxoic acid
CID 19931513
amino 2-(4-aminophenyl)acetate
CID 66872043
(4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate
CID 141285444
(3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate
CID 2445979
prop-2-enyl 2-(4-aminophenyl)acetate
CID 91683020

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl 2-(4-aminophenyl)acetate?
The IUPAC name of (3,4-dichlorophenyl)methyl 2-(4-aminophenyl)acetate (CID 61321314) is (3,4-dichlorophenyl)methyl 2-(4-aminophenyl)acetate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl 2-(4-aminophenyl)acetate?
The canonical SMILES for (3,4-dichlorophenyl)methyl 2-(4-aminophenyl)acetate is Nc1ccc(CC(=O)OCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of (3,4-dichlorophenyl)methyl 2-(4-aminophenyl)acetate?
The InChIKey is LUPFFCBPDYAJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c16-13-6-3-11(7-14(13)17)9-20-15(19)8-10-1-4-12(18)5-2-10/h1-7H,8-9,18H2.
What are the key properties of (3,4-dichlorophenyl)methyl 2-(4-aminophenyl)acetate?
(3,4-dichlorophenyl)methyl 2-(4-aminophenyl)acetate has a molecular weight of 310.18 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl 2-(4-aminophenyl)acetate is sourced from PubChem (CID 61321314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).