2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide

C15H13N3O3 — CID 6879661

IUPAC2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
SMILESCc1ccccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13N3O3/c1-11-5-2-3-8-14(11)15(19)17-16-10-12-6-4-7-13(9-12)18(20)21/h2-10H,1H3,(H,17,19)/b16-10+
InChIKeyHOYQYUNETMXYTR-MHWRWJLKSA-N
MW283.29 g/mol
LogP2.67
Rot. Bonds4

About 2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide

2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide (PubChem CID 6879661) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
PubChem CID6879661
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
SMILESCc1ccccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13N3O3/c1-11-5-2-3-8-14(11)15(19)17-16-10-12-6-4-7-13(9-12)18(20)21/h2-10H,1H3,(H,17,19)/b16-10+
InChIKeyHOYQYUNETMXYTR-MHWRWJLKSA-N
XLogP2.67
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6861689
2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]furan-3-carboxamide
CID 6878666
2-chloro-4-methyl-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 40963819
2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 94849409
N-[(3-bromophenyl)methylideneamino]-2-methylbenzamide
CID 4129922
N-(2,6-dimethylphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide
CID 8898610
1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]thiourea
CID 6280519
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 19165666
N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 6897881
4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403564
(2S)-2-(2,6-dimethylanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]propanamide
CID 5410900
2-methyl-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 4924395

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide (CID 6879661) is 2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide is Cc1ccccc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide?
The InChIKey is HOYQYUNETMXYTR-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-11-5-2-3-8-14(11)15(19)17-16-10-12-6-4-7-13(9-12)18(20)21/h2-10H,1H3,(H,17,19)/b16-10+.
What are the key properties of 2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide?
2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide has a molecular weight of 283.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 6879661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).