N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide

C16H15N3O4 — CID 19165666

IUPACN-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccccc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O4/c1-11-5-3-4-6-13(11)16(20)18-17-10-12-7-8-15(23-2)14(9-12)19(21)22/h3-10H,1-2H3,(H,18,20)/b17-10+
InChIKeyRKVXWDKRGZGBOJ-LICLKQGHSA-N
MW313.31 g/mol
LogP2.68
Rot. Bonds5

About N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide

N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide (PubChem CID 19165666) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide
PubChem CID19165666
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccccc2C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O4/c1-11-5-3-4-6-13(11)16(20)18-17-10-12-7-8-15(23-2)14(9-12)19(21)22/h3-10H,1-2H3,(H,18,20)/b17-10+
InChIKeyRKVXWDKRGZGBOJ-LICLKQGHSA-N
XLogP2.68
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.68
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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Related Compounds

2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 958341
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 5370784
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657832
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 772813
[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
CID 71670048
4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 98090583
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 2245175
N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 110505855
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylbenzamide
CID 3508725
3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 41290513
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 840681
N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 136798711

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide?
The IUPAC name of N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide (CID 19165666) is N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide is COc1ccc(/C=N/NC(=O)c2ccccc2C)cc1[N+](=O)[O-].
What is the InChIKey of N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide?
The InChIKey is RKVXWDKRGZGBOJ-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-11-5-3-4-6-13(11)16(20)18-17-10-12-7-8-15(23-2)14(9-12)19(21)22/h3-10H,1-2H3,(H,18,20)/b17-10+.
What are the key properties of N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide?
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide has a molecular weight of 313.31 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide is sourced from PubChem (CID 19165666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).