N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide

C16H15N3O4 — CID 6082995

IUPACN-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide
SMILESCOc1cccc(/C=N\NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H15N3O4/c1-11-6-7-13(9-15(11)19(21)22)16(20)18-17-10-12-4-3-5-14(8-12)23-2/h3-10H,1-2H3,(H,18,20)/b17-10-
InChIKeyYRASXRDGRDCLMA-YVLHZVERSA-N
MW313.31 g/mol
LogP2.68
Rot. Bonds5

About N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide

N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide (PubChem CID 6082995) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide
PubChem CID6082995
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide
SMILESCOc1cccc(/C=N\NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C16H15N3O4/c1-11-6-7-13(9-15(11)19(21)22)16(20)18-17-10-12-4-3-5-14(8-12)23-2/h3-10H,1-2H3,(H,18,20)/b17-10-
InChIKeyYRASXRDGRDCLMA-YVLHZVERSA-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

N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 931984
3,4-dimethoxy-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 9232133
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 136712161
1-(3-methoxyphenyl)-3-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]thiourea
CID 9256249
N-[(4-hydroxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 3317117
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 6273667
N-[4-[[(E)-(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-nitrobenzamide
CID 46496222
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 6009398
3-chloro-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 9174858
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403791
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide?
The IUPAC name of N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide (CID 6082995) is N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide is COc1cccc(/C=N\NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide?
The InChIKey is YRASXRDGRDCLMA-YVLHZVERSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-11-6-7-13(9-15(11)19(21)22)16(20)18-17-10-12-4-3-5-14(8-12)23-2/h3-10H,1-2H3,(H,18,20)/b17-10-.
What are the key properties of N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide?
N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide 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-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 6082995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).