4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide

C22H18BrN3O2 — CID 6272222

IUPAC4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C22H18BrN3O2/c1-15(16-7-11-19(23)12-8-16)25-26-22(28)18-9-13-20(14-10-18)24-21(27)17-5-3-2-4-6-17/h2-14H,1H3,(H,24,27)(H,26,28)/b25-15-
InChIKeyLYJIRVHLNCYOHT-MYYYXRDXSA-N
MW436.31 g/mol
LogP4.86
Rot. Bonds5

About 4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide

4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide (PubChem CID 6272222) has the molecular formula C22H18BrN3O2 and a molecular weight of 436.31 g/mol. Its IUPAC name is 4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
PubChem CID6272222
Molecular FormulaC22H18BrN3O2
Molecular Weight436.31 g/mol
Exact Mass435.06
IUPAC Name4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Br)cc1
InChIInChI=1S/C22H18BrN3O2/c1-15(16-7-11-19(23)12-8-16)25-26-22(28)18-9-13-20(14-10-18)24-21(27)17-5-3-2-4-6-17/h2-14H,1H3,(H,24,27)(H,26,28)/b25-15-
InChIKeyLYJIRVHLNCYOHT-MYYYXRDXSA-N
XLogP4.86
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.31
LogP ≤ 54.86
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-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6134709
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
N-[4-[N-[(4-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3558400
4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3289474
4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide
CID 3370740
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide
CID 4099820
4-bromo-N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 3413334
N-[1-(4-bromophenyl)ethylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 4507337
N-[4-(N-anilino-C-methylcarbonimidoyl)phenyl]benzamide
CID 3561745
N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 5412073
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 4069311

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide?
The IUPAC name of 4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide (CID 6272222) is 4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide?
The InChIKey is LYJIRVHLNCYOHT-MYYYXRDXSA-N. The full InChI is InChI=1S/C22H18BrN3O2/c1-15(16-7-11-19(23)12-8-16)25-26-22(28)18-9-13-20(14-10-18)24-21(27)17-5-3-2-4-6-17/h2-14H,1H3,(H,24,27)(H,26,28)/b25-15-.
What are the key properties of 4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide?
4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide has a molecular weight of 436.31 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 6272222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).