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

C17H16BrN3O2 — CID 6134709

IUPAC4-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C(/C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H16BrN3O2/c1-11(13-3-7-15(18)8-4-13)20-21-17(23)14-5-9-16(10-6-14)19-12(2)22/h3-10H,1-2H3,(H,19,22)(H,21,23)/b20-11-
InChIKeyVASYEZVYSGABKL-JAIQZWGSSA-N
MW374.24 g/mol
LogP3.56
Rot. Bonds4

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

4-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide (PubChem CID 6134709) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is 4-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
PubChem CID6134709
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Name4-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C(/C)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H16BrN3O2/c1-11(13-3-7-15(18)8-4-13)20-21-17(23)14-5-9-16(10-6-14)19-12(2)22/h3-10H,1-2H3,(H,19,22)(H,21,23)/b20-11-
InChIKeyVASYEZVYSGABKL-JAIQZWGSSA-N
XLogP3.56
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.56
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-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6272222
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-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
N-[4-[N-[(4-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3558400
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
N-[(4-acetamidophenyl)carbamothioyl]-4-bromobenzamide
CID 3477981
N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide
CID 1225540
4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide
CID 4299606
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-6-methylpyridine-3-carboxamide
CID 5370928
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide
CID 99945469
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide (CID 6134709) is 4-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide is CC(=O)Nc1ccc(C(=O)N/N=C(/C)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide?
The InChIKey is VASYEZVYSGABKL-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-11(13-3-7-15(18)8-4-13)20-21-17(23)14-5-9-16(10-6-14)19-12(2)22/h3-10H,1-2H3,(H,19,22)(H,21,23)/b20-11-.
What are the key properties of 4-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide?
4-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide has a molecular weight of 374.24 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 6134709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).