N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide

C16H15N3O4 — CID 5403378

IUPACN-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
SMILESCOc1ccc(/C=N\NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H15N3O4/c1-23-15-8-4-13(5-9-15)11-17-18-16(20)10-12-2-6-14(7-3-12)19(21)22/h2-9,11H,10H2,1H3,(H,18,20)/b17-11-
InChIKeyVCJCGJRDQFKFOX-BOPFTXTBSA-N
MW313.31 g/mol
LogP2.30
Rot. Bonds6

About N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide

N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide (PubChem CID 5403378) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
PubChem CID5403378
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
SMILESCOc1ccc(/C=N\NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H15N3O4/c1-23-15-8-4-13(5-9-15)11-17-18-16(20)10-12-2-6-14(7-3-12)19(21)22/h2-9,11H,10H2,1H3,(H,18,20)/b17-11-
InChIKeyVCJCGJRDQFKFOX-BOPFTXTBSA-N
XLogP2.30
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide (CID 5403378) is N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide is COc1ccc(/C=N\NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide?
The InChIKey is VCJCGJRDQFKFOX-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-23-15-8-4-13(5-9-15)11-17-18-16(20)10-12-2-6-14(7-3-12)19(21)22/h2-9,11H,10H2,1H3,(H,18,20)/b17-11-.
What are the key properties of N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide?
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide has a molecular weight of 313.31 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 5403378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).