[(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-chlorophenyl)acetate

C16H14ClN3O4 — CID 5343483

IUPAC[(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-chlorophenyl)acetate
SMILESN/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O4/c17-13-5-1-12(2-6-13)10-16(21)24-19-15(18)9-11-3-7-14(8-4-11)20(22)23/h1-8H,9-10H2,(H2,18,19)
InChIKeyRSGFNNFQAKYEMB-UHFFFAOYSA-N
MW347.76 g/mol
LogP2.85
Rot. Bonds6

About [(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-chlorophenyl)acetate

[(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-chlorophenyl)acetate (PubChem CID 5343483) has the molecular formula C16H14ClN3O4 and a molecular weight of 347.76 g/mol. Its IUPAC name is [(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-chlorophenyl)acetate
PubChem CID5343483
Molecular FormulaC16H14ClN3O4
Molecular Weight347.76 g/mol
Exact Mass347.07
IUPAC Name[(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-chlorophenyl)acetate
SMILESN/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O4/c17-13-5-1-12(2-6-13)10-16(21)24-19-15(18)9-11-3-7-14(8-4-11)20(22)23/h1-8H,9-10H2,(H2,18,19)
InChIKeyRSGFNNFQAKYEMB-UHFFFAOYSA-N
XLogP2.85
TPSA107.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 [(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-chlorophenyl)acetate?
The IUPAC name of [(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-chlorophenyl)acetate (CID 5343483) is [(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-chlorophenyl)acetate is N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of [(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-chlorophenyl)acetate?
The InChIKey is RSGFNNFQAKYEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4/c17-13-5-1-12(2-6-13)10-16(21)24-19-15(18)9-11-3-7-14(8-4-11)20(22)23/h1-8H,9-10H2,(H2,18,19).
What are the key properties of [(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-chlorophenyl)acetate?
[(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-chlorophenyl)acetate has a molecular weight of 347.76 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 5343483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).