N-[(E)-anthracen-9-ylmethylideneamino]-2-[(3-bromophenyl)methoxy]benzamide

C29H21BrN2O2 — CID 83290847

IUPACN-[(E)-anthracen-9-ylmethylideneamino]-2-[(3-bromophenyl)methoxy]benzamide
SMILESO=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C29H21BrN2O2/c30-23-11-7-8-20(16-23)19-34-28-15-6-5-14-26(28)29(33)32-31-18-27-24-12-3-1-9-21(24)17-22-10-2-4-13-25(22)27/h1-18H,19H2,(H,32,33)/b31-18+
InChIKeyGIALAFJVXJRPKF-FDAWAROLSA-N
MW509.40 g/mol
LogP7.10
Rot. Bonds6

About N-[(E)-anthracen-9-ylmethylideneamino]-2-[(3-bromophenyl)methoxy]benzamide

N-[(E)-anthracen-9-ylmethylideneamino]-2-[(3-bromophenyl)methoxy]benzamide (PubChem CID 83290847) has the molecular formula C29H21BrN2O2 and a molecular weight of 509.40 g/mol. Its IUPAC name is N-[(E)-anthracen-9-ylmethylideneamino]-2-[(3-bromophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(E)-anthracen-9-ylmethylideneamino]-2-[(3-bromophenyl)methoxy]benzamide
PubChem CID83290847
Molecular FormulaC29H21BrN2O2
Molecular Weight509.40 g/mol
Exact Mass508.08
IUPAC NameN-[(E)-anthracen-9-ylmethylideneamino]-2-[(3-bromophenyl)methoxy]benzamide
SMILESO=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1OCc1cccc(Br)c1
InChIInChI=1S/C29H21BrN2O2/c30-23-11-7-8-20(16-23)19-34-28-15-6-5-14-26(28)29(33)32-31-18-27-24-12-3-1-9-21(24)17-22-10-2-4-13-25(22)27/h1-18H,19H2,(H,32,33)/b31-18+
InChIKeyGIALAFJVXJRPKF-FDAWAROLSA-N
XLogP7.10
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.40
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(anthracen-9-ylmethylideneamino)-2-[(4-bromophenyl)methoxy]benzamide
CID 71960202
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide
CID 4108079
2-[(3-bromophenyl)methoxy]-N-[(Z)-(4-bromophenyl)methylideneamino]benzamide
CID 97413809
2-[(3-bromophenyl)methoxy]-N-[(E)-(4-bromophenyl)methylideneamino]benzamide
CID 83290842
2-[(3-bromophenyl)methoxy]-N-[(E)-(5-bromothiophen-2-yl)methylideneamino]benzamide
CID 6877293
2-[(3-bromophenyl)methoxy]-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 46498082
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide
CID 85032915
2-[(3-bromophenyl)methoxy]-N-[(4-nitrophenyl)methylideneamino]benzamide
CID 71960184
2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide
CID 29147296
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6262708
2-bromo-N-[(Z)-[2-[(3-cyanophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
CID 29147312

Frequently Asked Questions

What is the IUPAC name of N-[(E)-anthracen-9-ylmethylideneamino]-2-[(3-bromophenyl)methoxy]benzamide?
The IUPAC name of N-[(E)-anthracen-9-ylmethylideneamino]-2-[(3-bromophenyl)methoxy]benzamide (CID 83290847) is N-[(E)-anthracen-9-ylmethylideneamino]-2-[(3-bromophenyl)methoxy]benzamide.
What is the SMILES notation for N-[(E)-anthracen-9-ylmethylideneamino]-2-[(3-bromophenyl)methoxy]benzamide?
The canonical SMILES for N-[(E)-anthracen-9-ylmethylideneamino]-2-[(3-bromophenyl)methoxy]benzamide is O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1OCc1cccc(Br)c1.
What is the InChIKey of N-[(E)-anthracen-9-ylmethylideneamino]-2-[(3-bromophenyl)methoxy]benzamide?
The InChIKey is GIALAFJVXJRPKF-FDAWAROLSA-N. The full InChI is InChI=1S/C29H21BrN2O2/c30-23-11-7-8-20(16-23)19-34-28-15-6-5-14-26(28)29(33)32-31-18-27-24-12-3-1-9-21(24)17-22-10-2-4-13-25(22)27/h1-18H,19H2,(H,32,33)/b31-18+.
What are the key properties of N-[(E)-anthracen-9-ylmethylideneamino]-2-[(3-bromophenyl)methoxy]benzamide?
N-[(E)-anthracen-9-ylmethylideneamino]-2-[(3-bromophenyl)methoxy]benzamide has a molecular weight of 509.40 g/mol, XLogP of 7.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-anthracen-9-ylmethylideneamino]-2-[(3-bromophenyl)methoxy]benzamide is sourced from PubChem (CID 83290847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).