(4-chlorophenyl)methyl 2-(4-aminophenyl)acetate

C15H14ClNO2 — CID 61323404

IUPAC(4-chlorophenyl)methyl 2-(4-aminophenyl)acetate
SMILESNc1ccc(CC(=O)OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO2/c16-13-5-1-12(2-6-13)10-19-15(18)9-11-3-7-14(17)8-4-11/h1-8H,9-10,17H2
InChIKeyCKBJSEXCAFUFAW-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.21
Rot. Bonds4

About (4-chlorophenyl)methyl 2-(4-aminophenyl)acetate

(4-chlorophenyl)methyl 2-(4-aminophenyl)acetate (PubChem CID 61323404) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2-(4-aminophenyl)acetate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2-(4-aminophenyl)acetate
PubChem CID61323404
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name(4-chlorophenyl)methyl 2-(4-aminophenyl)acetate
SMILESNc1ccc(CC(=O)OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO2/c16-13-5-1-12(2-6-13)10-19-15(18)9-11-3-7-14(17)8-4-11/h1-8H,9-10,17H2
InChIKeyCKBJSEXCAFUFAW-UHFFFAOYSA-N
XLogP3.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.21
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'}

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Related Compounds

(3,4-dichlorophenyl)methyl 2-(4-aminophenyl)acetate
CID 61321314
pyridin-4-ylmethyl 2-(4-aminophenyl)acetate
CID 61321694
(4-chlorophenyl)methyl 2-(5-amino-2-pyridinyl)acetate
CID 107340008
(4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate
CID 141285444
[2-(4-aminophenyl)acetyl]oxymercury
CID 140524085
2-(4-aminophenyl)ethaneperoxoic acid
CID 19931513
amino 2-(4-aminophenyl)acetate
CID 66872043
(4-chlorophenyl)methyl 2-naphthalen-1-ylacetate
CID 165364396
prop-2-enyl 2-(4-aminophenyl)acetate
CID 91683020
bis[(4-chlorophenyl)methyl] but-2-enedioate
CID 54391638
methyl 2-(4-aminophenyl)acetate;hydrochloride
CID 12918864
2-methylpropyl 2-(4-aminophenyl)acetate
CID 20504770

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2-(4-aminophenyl)acetate?
The IUPAC name of (4-chlorophenyl)methyl 2-(4-aminophenyl)acetate (CID 61323404) is (4-chlorophenyl)methyl 2-(4-aminophenyl)acetate.
What is the SMILES notation for (4-chlorophenyl)methyl 2-(4-aminophenyl)acetate?
The canonical SMILES for (4-chlorophenyl)methyl 2-(4-aminophenyl)acetate is Nc1ccc(CC(=O)OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 2-(4-aminophenyl)acetate?
The InChIKey is CKBJSEXCAFUFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-13-5-1-12(2-6-13)10-19-15(18)9-11-3-7-14(17)8-4-11/h1-8H,9-10,17H2.
What are the key properties of (4-chlorophenyl)methyl 2-(4-aminophenyl)acetate?
(4-chlorophenyl)methyl 2-(4-aminophenyl)acetate has a molecular weight of 275.74 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2-(4-aminophenyl)acetate is sourced from PubChem (CID 61323404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).