N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide

C14H10BrN3O3 — CID 3960646

IUPACN-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(NN=Cc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10BrN3O3/c15-12-3-1-2-10(8-12)9-16-17-14(19)11-4-6-13(7-5-11)18(20)21/h1-9H,(H,17,19)
InChIKeyWMTKMUATJLZKIV-UHFFFAOYSA-N
MW348.16 g/mol
LogP3.12
Rot. Bonds4

About N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide

N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide (PubChem CID 3960646) has the molecular formula C14H10BrN3O3 and a molecular weight of 348.16 g/mol. Its IUPAC name is N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide
PubChem CID3960646
Molecular FormulaC14H10BrN3O3
Molecular Weight348.16 g/mol
Exact Mass346.99
IUPAC NameN-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide
SMILESO=C(NN=Cc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10BrN3O3/c15-12-3-1-2-10(8-12)9-16-17-14(19)11-4-6-13(7-5-11)18(20)21/h1-9H,(H,17,19)
InChIKeyWMTKMUATJLZKIV-UHFFFAOYSA-N
XLogP3.12
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 71951586
N-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 1353406
N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 931984
4-amino-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
CID 42995119
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
CID 135420166
4-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 5403564
[2-methoxy-4-[[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 5146529
4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
CID 19578867
4-[(4-bromobenzoyl)amino]-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 5457889
N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 6897881
4-bromo-N-[[3-(2,4-dinitrophenoxy)phenyl]methylideneamino]benzamide
CID 2250273
N-[(3-bromophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 171134385

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide (CID 3960646) is N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide is O=C(NN=Cc1cccc(Br)c1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide?
The InChIKey is WMTKMUATJLZKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O3/c15-12-3-1-2-10(8-12)9-16-17-14(19)11-4-6-13(7-5-11)18(20)21/h1-9H,(H,17,19).
What are the key properties of N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide?
N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide has a molecular weight of 348.16 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 3960646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).