4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide

C21H15Br2N3O2 — CID 19578867

IUPAC4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(Br)c1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H15Br2N3O2/c22-17-8-4-15(5-9-17)20(27)25-19-10-6-16(7-11-19)21(28)26-24-13-14-2-1-3-18(23)12-14/h1-13H,(H,25,27)(H,26,28)/b24-13+
InChIKeyDMKVXXYGIWJTCF-ZMOGYAJESA-N
MW501.18 g/mol
LogP5.23
Rot. Bonds5

About 4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide

4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide (PubChem CID 19578867) has the molecular formula C21H15Br2N3O2 and a molecular weight of 501.18 g/mol. Its IUPAC name is 4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
PubChem CID19578867
Molecular FormulaC21H15Br2N3O2
Molecular Weight501.18 g/mol
Exact Mass498.95
IUPAC Name4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1cccc(Br)c1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C21H15Br2N3O2/c22-17-8-4-15(5-9-17)20(27)25-19-10-6-16(7-11-19)21(28)26-24-13-14-2-1-3-18(23)12-14/h1-13H,(H,25,27)(H,26,28)/b24-13+
InChIKeyDMKVXXYGIWJTCF-ZMOGYAJESA-N
XLogP5.23
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.18
LogP ≤ 55.23
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-[(3-bromophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 171134385
4-amino-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
CID 42995119
4-bromo-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 5332246
4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407444
N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide
CID 3960646
N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide
CID 2695972
4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide
CID 4620480
4-bromo-N-[(4-bromophenyl)methylideneamino]benzamide
CID 603280
N-(4-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
CID 3309174
4-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 6907430
N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide
CID 5332626
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-bromophenyl)methylideneamino]oxamide
CID 6019349

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide (CID 19578867) is 4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide is O=C(N/N=C/c1cccc(Br)c1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide?
The InChIKey is DMKVXXYGIWJTCF-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H15Br2N3O2/c22-17-8-4-15(5-9-17)20(27)25-19-10-6-16(7-11-19)21(28)26-24-13-14-2-1-3-18(23)12-14/h1-13H,(H,25,27)(H,26,28)/b24-13+.
What are the key properties of 4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide?
4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide has a molecular weight of 501.18 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide is sourced from PubChem (CID 19578867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).