N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide

C16H15BrN2O3 — CID 1369435

IUPACN-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=Cc2cc(OC)ccc2Br)cc1
InChIInChI=1S/C16H15BrN2O3/c1-21-13-5-3-11(4-6-13)16(20)19-18-10-12-9-14(22-2)7-8-15(12)17/h3-10H,1-2H3,(H,19,20)
InChIKeyGKONFBYVJKVHGD-UHFFFAOYSA-N
MW363.21 g/mol
LogP3.23
Rot. Bonds5

About N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide

N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide (PubChem CID 1369435) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
PubChem CID1369435
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC NameN-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=Cc2cc(OC)ccc2Br)cc1
InChIInChI=1S/C16H15BrN2O3/c1-21-13-5-3-11(4-6-13)16(20)19-18-10-12-9-14(22-2)7-8-15(12)17/h3-10H,1-2H3,(H,19,20)
InChIKeyGKONFBYVJKVHGD-UHFFFAOYSA-N
XLogP3.23
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.23
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

4-bromo-N-[(2-bromo-5-methoxyphenyl)methylideneamino]benzamide
CID 1245899
1,3-bis[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]urea
CID 5334969
2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide
CID 4583740
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 44507388
N-[(E)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 135478077
N-[2-[(2E)-2-[(2-bromo-5-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methylbenzamide
CID 51061390
N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 4193667
4-methoxy-N-[(2,4,6-tribromo-3-hydroxyphenyl)methylideneamino]benzamide
CID 3300390
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136778476
4-amino-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide;hydrate
CID 139084206
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-4-[(4-methoxybenzoyl)amino]benzamide
CID 6262653

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide (CID 1369435) is N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)NN=Cc2cc(OC)ccc2Br)cc1.
What is the InChIKey of N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide?
The InChIKey is GKONFBYVJKVHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-21-13-5-3-11(4-6-13)16(20)19-18-10-12-9-14(22-2)7-8-15(12)17/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide?
N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide has a molecular weight of 363.21 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 1369435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).