(4-chlorophenyl) 2-(3-aminophenoxy)propanoate

C15H14ClNO3 — CID 133164899

IUPAC(4-chlorophenyl) 2-(3-aminophenoxy)propanoate
SMILESCC(Oc1cccc(N)c1)C(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3/c1-10(19-14-4-2-3-12(17)9-14)15(18)20-13-7-5-11(16)6-8-13/h2-10H,17H2,1H3
InChIKeySVHPJBKRPVAJSY-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.30
Rot. Bonds4

About (4-chlorophenyl) 2-(3-aminophenoxy)propanoate

(4-chlorophenyl) 2-(3-aminophenoxy)propanoate (PubChem CID 133164899) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is (4-chlorophenyl) 2-(3-aminophenoxy)propanoate.

Molecular Properties

Compound Name(4-chlorophenyl) 2-(3-aminophenoxy)propanoate
PubChem CID133164899
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name(4-chlorophenyl) 2-(3-aminophenoxy)propanoate
SMILESCC(Oc1cccc(N)c1)C(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3/c1-10(19-14-4-2-3-12(17)9-14)15(18)20-13-7-5-11(16)6-8-13/h2-10H,17H2,1H3
InChIKeySVHPJBKRPVAJSY-UHFFFAOYSA-N
XLogP3.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.30
H-Bond Donors ≤ 51
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

2-(3-aminophenoxy)propanamide
CID 43115971
(4-cyanophenyl) (2R)-2-(4-chlorophenoxy)propanoate
CID 7913075
(4-chlorophenyl) (2R)-2-(2-fluorophenoxy)propanoate
CID 887463
2-(3-aminophenoxy)-N-(2-chlorophenyl)propanamide
CID 82027601
(2R)-2-(3-aminophenoxy)-N-methylpropanamide
CID 28908554
2,2,2-trifluoroethyl (2S)-2-(3-aminophenoxy)propanoate
CID 100616854
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(3,5-dimethylphenoxy)propanoate
CID 53266246
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenoxy)propanamide
CID 43078576
phenyl 2-(4-hydroxyphenoxy)propanoate
CID 12919933
2-(3-aminophenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307478
dimethyl 5-[2-(3-chlorophenoxy)propanoyloxy]benzene-1,3-dicarboxylate
CID 55341605
N-(3-aminophenyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 62228733

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) 2-(3-aminophenoxy)propanoate?
The IUPAC name of (4-chlorophenyl) 2-(3-aminophenoxy)propanoate (CID 133164899) is (4-chlorophenyl) 2-(3-aminophenoxy)propanoate.
What is the SMILES notation for (4-chlorophenyl) 2-(3-aminophenoxy)propanoate?
The canonical SMILES for (4-chlorophenyl) 2-(3-aminophenoxy)propanoate is CC(Oc1cccc(N)c1)C(=O)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) 2-(3-aminophenoxy)propanoate?
The InChIKey is SVHPJBKRPVAJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-10(19-14-4-2-3-12(17)9-14)15(18)20-13-7-5-11(16)6-8-13/h2-10H,17H2,1H3.
What are the key properties of (4-chlorophenyl) 2-(3-aminophenoxy)propanoate?
(4-chlorophenyl) 2-(3-aminophenoxy)propanoate has a molecular weight of 291.73 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) 2-(3-aminophenoxy)propanoate is sourced from PubChem (CID 133164899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).