(4-amino-3-chlorophenyl) 4-aminobenzoate

C13H11ClN2O2 — CID 23318660

IUPAC(4-amino-3-chlorophenyl) 4-aminobenzoate
SMILESNc1ccc(C(=O)Oc2ccc(N)c(Cl)c2)cc1
InChIInChI=1S/C13H11ClN2O2/c14-11-7-10(5-6-12(11)16)18-13(17)8-1-3-9(15)4-2-8/h1-7H,15-16H2
InChIKeyYDSMABPLTSPWIV-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.72
Rot. Bonds2

About (4-amino-3-chlorophenyl) 4-aminobenzoate

(4-amino-3-chlorophenyl) 4-aminobenzoate (PubChem CID 23318660) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is (4-amino-3-chlorophenyl) 4-aminobenzoate.

Molecular Properties

Compound Name(4-amino-3-chlorophenyl) 4-aminobenzoate
PubChem CID23318660
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name(4-amino-3-chlorophenyl) 4-aminobenzoate
SMILESNc1ccc(C(=O)Oc2ccc(N)c(Cl)c2)cc1
InChIInChI=1S/C13H11ClN2O2/c14-11-7-10(5-6-12(11)16)18-13(17)8-1-3-9(15)4-2-8/h1-7H,15-16H2
InChIKeyYDSMABPLTSPWIV-UHFFFAOYSA-N
XLogP2.72
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate
CID 6612290
4-[4-(4-aminophenoxy)carbonylbenzoyl]oxybenzoic acid
CID 163886316
(4-aminophenyl) 4-[4-(2,4-dichlorophenoxy)carbonylphenyl]benzoate
CID 68526564
(3-chloro-4-hydroxyphenyl) 4-hydroxybenzoate
CID 66793282
(4-aminophenyl) 4-[4-(2-chlorophenoxy)carbonylphenyl]benzoate
CID 68529693
[4-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate;4-(4-aminophenoxy)aniline;4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline
CID 167612006
[4-[1-(4-aminophenyl)ethenoxy]phenyl] 4-aminobenzoate
CID 158295997
[3-chloro-4-(4-hydroxybenzoyl)oxyphenyl] 4-hydroxybenzoate
CID 58982807
(4-methylphenyl) 4-[4-(4-aminophenoxy)carbonylphenyl]benzoate
CID 59193574
phenyl 4-[4-(4-aminophenoxy)carbonylphenyl]benzoate
CID 68524918
(4-aminophenyl) 4-(4-hydroxyphenyl)benzoate
CID 54018499
[3-chloro-4-(4-methoxybenzoyl)oxyphenyl] 4-methoxybenzoate
CID 90331687

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-chlorophenyl) 4-aminobenzoate?
The IUPAC name of (4-amino-3-chlorophenyl) 4-aminobenzoate (CID 23318660) is (4-amino-3-chlorophenyl) 4-aminobenzoate.
What is the SMILES notation for (4-amino-3-chlorophenyl) 4-aminobenzoate?
The canonical SMILES for (4-amino-3-chlorophenyl) 4-aminobenzoate is Nc1ccc(C(=O)Oc2ccc(N)c(Cl)c2)cc1.
What is the InChIKey of (4-amino-3-chlorophenyl) 4-aminobenzoate?
The InChIKey is YDSMABPLTSPWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-11-7-10(5-6-12(11)16)18-13(17)8-1-3-9(15)4-2-8/h1-7H,15-16H2.
What are the key properties of (4-amino-3-chlorophenyl) 4-aminobenzoate?
(4-amino-3-chlorophenyl) 4-aminobenzoate has a molecular weight of 262.70 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-chlorophenyl) 4-aminobenzoate is sourced from PubChem (CID 23318660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).