N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide

C16H15BrN2O3 — CID 1001834

IUPACN-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(Br)c(C=NNC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C16H15BrN2O3/c1-21-14-8-12(13(17)9-15(14)22-2)10-18-19-16(20)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,19,20)
InChIKeyBFQFVRHCEASNBV-UHFFFAOYSA-N
MW363.21 g/mol
LogP3.23
Rot. Bonds5

About N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide

N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide (PubChem CID 1001834) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
PubChem CID1001834
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC NameN-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(Br)c(C=NNC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C16H15BrN2O3/c1-21-14-8-12(13(17)9-15(14)22-2)10-18-19-16(20)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,19,20)
InChIKeyBFQFVRHCEASNBV-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

N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 9016566
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 5430724
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 9015072
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 9077699
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide
CID 5430767
3,5-dibromo-N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 3448520
N-[(E)-[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]benzamide
CID 126085583
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3976610
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 5430737
4-phenyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 3501852
N-[(Z)-[4-(2-anilino-2-oxoethoxy)-2-bromo-5-methoxyphenyl]methylideneamino]-4-chlorobenzamide
CID 126196560
N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136912832

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide (CID 1001834) is N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide is COc1cc(Br)c(C=NNC(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is BFQFVRHCEASNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-21-14-8-12(13(17)9-15(14)22-2)10-18-19-16(20)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide?
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide 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-4,5-dimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 1001834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).