[[1-amino-2-[2-(2-chlorophenyl)phenyl]ethylidene]amino] acetate

C16H15ClN2O2 — CID 123627985

IUPAC[[1-amino-2-[2-(2-chlorophenyl)phenyl]ethylidene]amino] acetate
SMILESCC(=O)ON=C(N)Cc1ccccc1-c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O2/c1-11(20)21-19-16(18)10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)17/h2-9H,10H2,1H3,(H2,18,19)
InChIKeyRWJVHRDCHCBVDA-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.38
Rot. Bonds4

About [[1-amino-2-[2-(2-chlorophenyl)phenyl]ethylidene]amino] acetate

[[1-amino-2-[2-(2-chlorophenyl)phenyl]ethylidene]amino] acetate (PubChem CID 123627985) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is [[1-amino-2-[2-(2-chlorophenyl)phenyl]ethylidene]amino] acetate.

Molecular Properties

Compound Name[[1-amino-2-[2-(2-chlorophenyl)phenyl]ethylidene]amino] acetate
PubChem CID123627985
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name[[1-amino-2-[2-(2-chlorophenyl)phenyl]ethylidene]amino] acetate
SMILESCC(=O)ON=C(N)Cc1ccccc1-c1ccccc1Cl
InChIInChI=1S/C16H15ClN2O2/c1-11(20)21-19-16(18)10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)17/h2-9H,10H2,1H3,(H2,18,19)
InChIKeyRWJVHRDCHCBVDA-UHFFFAOYSA-N
XLogP3.38
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[1-amino-2-[2-(2-chlorophenyl)phenyl]ethylidene]amino] acetate?
The IUPAC name of [[1-amino-2-[2-(2-chlorophenyl)phenyl]ethylidene]amino] acetate (CID 123627985) is [[1-amino-2-[2-(2-chlorophenyl)phenyl]ethylidene]amino] acetate.
What is the SMILES notation for [[1-amino-2-[2-(2-chlorophenyl)phenyl]ethylidene]amino] acetate?
The canonical SMILES for [[1-amino-2-[2-(2-chlorophenyl)phenyl]ethylidene]amino] acetate is CC(=O)ON=C(N)Cc1ccccc1-c1ccccc1Cl.
What is the InChIKey of [[1-amino-2-[2-(2-chlorophenyl)phenyl]ethylidene]amino] acetate?
The InChIKey is RWJVHRDCHCBVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-11(20)21-19-16(18)10-12-6-2-3-7-13(12)14-8-4-5-9-15(14)17/h2-9H,10H2,1H3,(H2,18,19).
What are the key properties of [[1-amino-2-[2-(2-chlorophenyl)phenyl]ethylidene]amino] acetate?
[[1-amino-2-[2-(2-chlorophenyl)phenyl]ethylidene]amino] acetate has a molecular weight of 302.76 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-amino-2-[2-(2-chlorophenyl)phenyl]ethylidene]amino] acetate is sourced from PubChem (CID 123627985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).