(4-chlorophenyl)methyl 4-amino-3-chlorobenzoate

C14H11Cl2NO2 — CID 64687569

IUPAC(4-chlorophenyl)methyl 4-amino-3-chlorobenzoate
SMILESNc1ccc(C(=O)OCc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C14H11Cl2NO2/c15-11-4-1-9(2-5-11)8-19-14(18)10-3-6-13(17)12(16)7-10/h1-7H,8,17H2
InChIKeyRONVPMHZEUBXLA-UHFFFAOYSA-N
MW296.15 g/mol
LogP3.93
Rot. Bonds3

About (4-chlorophenyl)methyl 4-amino-3-chlorobenzoate

(4-chlorophenyl)methyl 4-amino-3-chlorobenzoate (PubChem CID 64687569) has the molecular formula C14H11Cl2NO2 and a molecular weight of 296.15 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 4-amino-3-chlorobenzoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 4-amino-3-chlorobenzoate
PubChem CID64687569
Molecular FormulaC14H11Cl2NO2
Molecular Weight296.15 g/mol
Exact Mass295.02
IUPAC Name(4-chlorophenyl)methyl 4-amino-3-chlorobenzoate
SMILESNc1ccc(C(=O)OCc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C14H11Cl2NO2/c15-11-4-1-9(2-5-11)8-19-14(18)10-3-6-13(17)12(16)7-10/h1-7H,8,17H2
InChIKeyRONVPMHZEUBXLA-UHFFFAOYSA-N
XLogP3.93
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.15
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl)methyl 3,4-dichlorobenzoate
CID 977859
(2,6-difluorophenyl)methyl 4-amino-3-chlorobenzoate
CID 103993256
(4-fluorophenyl)methyl 4-amino-3-fluorobenzoate
CID 62682624
(4-chlorophenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 7753128
(4-chlorophenyl)methyl 1,3-benzodioxole-5-carboxylate
CID 2556848
methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate
CID 43380184
(4-chlorophenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 102706084
(5-bromothiophen-2-yl)methyl 4-amino-3-chlorobenzoate
CID 78998257
(4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 6459752
(4-chlorophenyl)methyl 2,4-dichlorobenzoate
CID 962047
(4-chlorophenyl)methyl 4-cyanobenzoate
CID 2592542
[3-[(3-amino-4-chlorobenzoyl)oxymethyl]phenyl]methyl 3-amino-4-chlorobenzoate
CID 16578140

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 4-amino-3-chlorobenzoate?
The IUPAC name of (4-chlorophenyl)methyl 4-amino-3-chlorobenzoate (CID 64687569) is (4-chlorophenyl)methyl 4-amino-3-chlorobenzoate.
What is the SMILES notation for (4-chlorophenyl)methyl 4-amino-3-chlorobenzoate?
The canonical SMILES for (4-chlorophenyl)methyl 4-amino-3-chlorobenzoate is Nc1ccc(C(=O)OCc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of (4-chlorophenyl)methyl 4-amino-3-chlorobenzoate?
The InChIKey is RONVPMHZEUBXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO2/c15-11-4-1-9(2-5-11)8-19-14(18)10-3-6-13(17)12(16)7-10/h1-7H,8,17H2.
What are the key properties of (4-chlorophenyl)methyl 4-amino-3-chlorobenzoate?
(4-chlorophenyl)methyl 4-amino-3-chlorobenzoate has a molecular weight of 296.15 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 4-amino-3-chlorobenzoate is sourced from PubChem (CID 64687569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).