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

C15H13N3O4 — CID 931984

IUPACN-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
SMILESCOc1cccc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H13N3O4/c1-22-14-4-2-3-11(9-14)10-16-17-15(19)12-5-7-13(8-6-12)18(20)21/h2-10H,1H3,(H,17,19)
InChIKeyUAPPOKQEIDCSJQ-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.37
Rot. Bonds5

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

N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide (PubChem CID 931984) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
PubChem CID931984
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC NameN-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
SMILESCOc1cccc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C15H13N3O4/c1-22-14-4-2-3-11(9-14)10-16-17-15(19)12-5-7-13(8-6-12)18(20)21/h2-10H,1H3,(H,17,19)
InChIKeyUAPPOKQEIDCSJQ-UHFFFAOYSA-N
XLogP2.37
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.37
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

4-methoxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403791
N-[4-[[(E)-(3-methoxyphenyl)methylideneamino]carbamoyl]phenyl]-3-nitrobenzamide
CID 46496222
N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 6082995
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430
N-[(3-methoxyphenyl)methylideneamino]-4-(methylamino)benzamide
CID 75306201
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 771719
N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide
CID 3960646
N-[(3-methoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 3989885
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 2245175
N-[2-[(Z)-(3-methoxyphenyl)methylideneamino]oxyethyl]-4-nitrobenzamide
CID 5382681
N-[(3-nitrophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 947524

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide (CID 931984) is N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide is COc1cccc(C=NNC(=O)c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide?
The InChIKey is UAPPOKQEIDCSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-22-14-4-2-3-11(9-14)10-16-17-15(19)12-5-7-13(8-6-12)18(20)21/h2-10H,1H3,(H,17,19).
What are the key properties of N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide?
N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide has a molecular weight of 299.29 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 931984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).