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

C21H15BrFN3O2 — CID 171134385

IUPACN-[(3-bromophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
SMILESO=C(NN=Cc1cccc(Br)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H15BrFN3O2/c22-17-3-1-2-14(12-17)13-24-26-21(28)16-6-10-19(11-7-16)25-20(27)15-4-8-18(23)9-5-15/h1-13H,(H,25,27)(H,26,28)
InChIKeySJHXDBSFGGSWGK-UHFFFAOYSA-N
MW440.27 g/mol
LogP4.60
Rot. Bonds5

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

N-[(3-bromophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide (PubChem CID 171134385) has the molecular formula C21H15BrFN3O2 and a molecular weight of 440.27 g/mol. Its IUPAC name is N-[(3-bromophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
PubChem CID171134385
Molecular FormulaC21H15BrFN3O2
Molecular Weight440.27 g/mol
Exact Mass439.03
IUPAC NameN-[(3-bromophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
SMILESO=C(NN=Cc1cccc(Br)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H15BrFN3O2/c22-17-3-1-2-14(12-17)13-24-26-21(28)16-6-10-19(11-7-16)25-20(27)15-4-8-18(23)9-5-15/h1-13H,(H,25,27)(H,26,28)
InChIKeySJHXDBSFGGSWGK-UHFFFAOYSA-N
XLogP4.60
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.27
LogP ≤ 54.60
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

4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
CID 19578867
N-(benzylideneamino)-4-[(4-fluorobenzoyl)amino]benzamide
CID 24789540
N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide
CID 5332626
4-[(4-fluorobenzoyl)amino]-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 86809552
4-amino-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
CID 42995119
N-[3-[[(3-bromophenyl)methylideneamino]carbamoyl]phenyl]-2-fluorobenzamide
CID 4913995
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
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809500
N-[(Z)-(3-bromophenyl)methylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
CID 110522965
2-[(4-fluorobenzoyl)amino]-N-[(E)-(3-fluorophenyl)methylideneamino]benzamide
CID 23108146

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide?
The IUPAC name of N-[(3-bromophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide (CID 171134385) is N-[(3-bromophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide.
What is the SMILES notation for N-[(3-bromophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide?
The canonical SMILES for N-[(3-bromophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide is O=C(NN=Cc1cccc(Br)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(3-bromophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide?
The InChIKey is SJHXDBSFGGSWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrFN3O2/c22-17-3-1-2-14(12-17)13-24-26-21(28)16-6-10-19(11-7-16)25-20(27)15-4-8-18(23)9-5-15/h1-13H,(H,25,27)(H,26,28).
What are the key properties of N-[(3-bromophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide?
N-[(3-bromophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide has a molecular weight of 440.27 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide is sourced from PubChem (CID 171134385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).