N-[(E)-(3-methylphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide

C24H18N2O3 — CID 127034765

IUPACN-[(E)-(3-methylphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide
SMILESCc1cccc(/C=N/NC(=O)c2ccc(-c3cc(=O)c4ccccc4o3)cc2)c1
InChIInChI=1S/C24H18N2O3/c1-16-5-4-6-17(13-16)15-25-26-24(28)19-11-9-18(10-12-19)23-14-21(27)20-7-2-3-8-22(20)29-23/h2-15H,1H3,(H,26,28)/b25-15+
InChIKeyDJJMPYLSYCUVTF-MFKUBSTISA-N
MW382.42 g/mol
LogP4.53
Rot. Bonds4

About N-[(E)-(3-methylphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide

N-[(E)-(3-methylphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide (PubChem CID 127034765) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[(E)-(3-methylphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-(3-methylphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide
PubChem CID127034765
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC NameN-[(E)-(3-methylphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide
SMILESCc1cccc(/C=N/NC(=O)c2ccc(-c3cc(=O)c4ccccc4o3)cc2)c1
InChIInChI=1S/C24H18N2O3/c1-16-5-4-6-17(13-16)15-25-26-24(28)19-11-9-18(10-12-19)23-14-21(27)20-7-2-3-8-22(20)29-23/h2-15H,1H3,(H,26,28)/b25-15+
InChIKeyDJJMPYLSYCUVTF-MFKUBSTISA-N
XLogP4.53
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide
CID 137189789
4-bromo-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 5332246
4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407444
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide
CID 913508
N-[(E)-(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 6880126
N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690990
3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407507
4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464574
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
N-benzyl-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790210

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methylphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide?
The IUPAC name of N-[(E)-(3-methylphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide (CID 127034765) is N-[(E)-(3-methylphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide.
What is the SMILES notation for N-[(E)-(3-methylphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide?
The canonical SMILES for N-[(E)-(3-methylphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide is Cc1cccc(/C=N/NC(=O)c2ccc(-c3cc(=O)c4ccccc4o3)cc2)c1.
What is the InChIKey of N-[(E)-(3-methylphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide?
The InChIKey is DJJMPYLSYCUVTF-MFKUBSTISA-N. The full InChI is InChI=1S/C24H18N2O3/c1-16-5-4-6-17(13-16)15-25-26-24(28)19-11-9-18(10-12-19)23-14-21(27)20-7-2-3-8-22(20)29-23/h2-15H,1H3,(H,26,28)/b25-15+.
What are the key properties of N-[(E)-(3-methylphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide?
N-[(E)-(3-methylphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide has a molecular weight of 382.42 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methylphenyl)methylideneamino]-4-(4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 127034765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).